Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 21:52:36 UTC

Update Date

2021-09-26 23:16:50 UTC

HMDB ID

HMDB0259341

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Tyr-Gly-Gly-Phe-Gly-OH

Description

Tyr-Gly-Gly-Phe-Gly-OH belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Based on a literature review very few articles have been published on Tyr-Gly-Gly-Phe-Gly-OH. This compound has been identified in human blood as reported by (PMID: 31557052 ). Tyr-gly-gly-phe-gly-oh is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Tyr-Gly-Gly-Phe-Gly-OH is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652309112123522D          

 36 37  0  0  0  0            999 V2000
    1.9426  -11.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5147  -11.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3155  -11.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5443  -12.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9723  -12.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1714  -12.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3452  -12.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9172  -11.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6884  -11.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2604  -10.4945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875  -10.8908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6587  -10.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2858  -10.4945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6291   -9.1074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181  -12.0797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2901  -11.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0613  -10.6926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0909  -11.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6630  -11.0890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4638  -11.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6926  -12.0797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0359  -10.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8367  -10.8908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4087  -10.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1799   -9.5037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2096  -10.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7816   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5825  -10.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1545   -9.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9554   -9.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1842  -10.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6121  -11.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8113  -10.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9850  -10.6926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4384  -11.2871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 29 34  1  0  0  0  0
 32 35  1  0  0  0  0
 27 36  1  0  0  0  0
M  END

HMDB0259341
     RDKit          3D
Tyr-Gly-Gly-Phe-Gly-OH
 65 66  0  0  0  0  0  0  0  0999 V2000
    6.8650   -1.0726   -2.3414 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    0.1288   -2.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6524    1.3008   -1.7894 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8002    1.0391   -0.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250    1.4079    0.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9729    1.1535    1.9025 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1156    0.5264    2.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2832    0.2636    3.6935 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1118    0.1464    1.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9376    0.4120    0.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6440   -0.0629   -2.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2057   -1.2029   -1.8440 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7501    1.0234   -2.1615 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3663    0.8294   -1.8589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0650    0.2608   -0.5426 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9956   -0.0365    0.2404 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6973    0.0642   -0.1969 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4014   -0.4903    1.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0189   -0.6744    1.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3181   -1.1646    2.5382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0326   -0.3327    0.5071 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4679   -0.5282    0.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9331   -1.5119   -0.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3229   -1.9164   -0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3178   -1.2863   -0.8627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6193   -1.7192   -0.7683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9830   -2.7691    0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0144   -3.4037    0.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7037   -2.9701    0.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0987    0.8021    0.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4098    1.7619    0.3033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4615    1.0366    1.1072 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0033    2.3756    0.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3984    2.3849    1.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9472    1.3338    1.8122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1736    3.5351    1.3602 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4416   -1.6927   -1.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8648   -1.6636   -3.2038 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0663    0.3249   -3.6113 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.2309   -1.9308 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6521    1.5108   -2.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250    1.9025    0.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2228    1.4331    2.6170 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1113   -0.1943    4.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9742   -0.3370    1.8588 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7340    0.1041   -0.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0991    1.9983   -2.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9811    0.0939   -2.6302 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7619    1.7515   -2.0733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0349    0.3201   -0.8641 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9400    0.1056    1.8634 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8498   -1.5360    1.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9115    0.0707   -0.4395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5449   -0.9541    1.8808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2929   -2.4302   -0.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6043   -1.1211   -1.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1135   -0.4519   -1.5167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3919   -1.2124   -1.3489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0031   -3.1076    0.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2601   -4.2316    1.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9663   -3.5142    1.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0582    0.2682    1.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4341    3.0945    1.6114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8626    2.7449   -0.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7302    3.8482    2.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 22 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 10  4  1  0
 29 24  1  0
  1 37  1  0
  1 38  1  0
  2 39  1  0
  3 40  1  0
  3 41  1  0
  5 42  1  0
  6 43  1  0
  8 44  1  0
  9 45  1  0
 10 46  1  0
 13 47  1  0
 14 48  1  0
 14 49  1  0
 17 50  1  0
 18 51  1  0
 18 52  1  0
 21 53  1  0
 22 54  1  0
 23 55  1  0
 23 56  1  0
 25 57  1  0
 26 58  1  0
 27 59  1  0
 28 60  1  0
 29 61  1  0
 32 62  1  0
 33 63  1  0
 33 64  1  0
 36 65  1  0
M  END


  Mrv1652309112123522D          

 36 37  0  0  0  0            999 V2000
    1.9426  -11.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5147  -11.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3155  -11.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5443  -12.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9723  -12.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1714  -12.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3452  -12.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9172  -11.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6884  -11.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2604  -10.4945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875  -10.8908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6587  -10.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2858  -10.4945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6291   -9.1074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181  -12.0797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2901  -11.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0613  -10.6926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0909  -11.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6630  -11.0890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4638  -11.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6926  -12.0797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0359  -10.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8367  -10.8908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4087  -10.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1799   -9.5037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2096  -10.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7816   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5825  -10.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1545   -9.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9554   -9.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1842  -10.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6121  -11.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8113  -10.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9850  -10.6926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4384  -11.2871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 29 34  1  0  0  0  0
 32 35  1  0  0  0  0
 27 36  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0259341

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C24H29N5O7/c25-18(10-16-6-8-17(30)9-7-16)23(35)27-12-20(31)26-13-21(32)29-19(24(36)28-14-22(33)34)11-15-4-2-1-3-5-15/h1-9,18-19,30H,10-14,25H2,(H,26,31)(H,27,35)(H,28,36)(H,29,32)(H,33,34)

> <INCHI_KEY>
CJXBPYBHEPRPPC-UHFFFAOYSA-N

> <FORMULA>
C24H29N5O7

> <MOLECULAR_WEIGHT>
499.524

> <EXACT_MASS>
499.206698294

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_POLARIZABILITY>
51.09320576374948

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[2-(2-{2-[2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-phenylpropanamido]acetic acid

> <ALOGPS_LOGP>
0.03

> <JCHEM_LOGP>
-3.6884040056347054

> <ALOGPS_LOGS>
-4.09

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.509787997197812

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.5404492638785103

> <JCHEM_PKA_STRONGEST_BASIC>
7.7272885736287185

> <JCHEM_POLAR_SURFACE_AREA>
199.95

> <JCHEM_REFRACTIVITY>
127.42409999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.06e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[2-(2-{2-[2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-phenylpropanamido]acetic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0259341
     RDKit          3D
Tyr-Gly-Gly-Phe-Gly-OH
 65 66  0  0  0  0  0  0  0  0999 V2000
    6.8650   -1.0726   -2.3414 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    0.1288   -2.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6524    1.3008   -1.7894 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8002    1.0391   -0.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250    1.4079    0.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9729    1.1535    1.9025 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1156    0.5264    2.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2832    0.2636    3.6935 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1118    0.1464    1.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9376    0.4120    0.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6440   -0.0629   -2.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2057   -1.2029   -1.8440 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7501    1.0234   -2.1615 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3663    0.8294   -1.8589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0650    0.2608   -0.5426 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9956   -0.0365    0.2404 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6973    0.0642   -0.1969 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4014   -0.4903    1.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0189   -0.6744    1.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3181   -1.1646    2.5382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0326   -0.3327    0.5071 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4679   -0.5282    0.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9331   -1.5119   -0.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3229   -1.9164   -0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3178   -1.2863   -0.8627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6193   -1.7192   -0.7683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9830   -2.7691    0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0144   -3.4037    0.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7037   -2.9701    0.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0987    0.8021    0.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4098    1.7619    0.3033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4615    1.0366    1.1072 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0033    2.3756    0.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3984    2.3849    1.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9472    1.3338    1.8122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1736    3.5351    1.3602 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4416   -1.6927   -1.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8648   -1.6636   -3.2038 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0663    0.3249   -3.6113 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.2309   -1.9308 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6521    1.5108   -2.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250    1.9025    0.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2228    1.4331    2.6170 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1113   -0.1943    4.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9742   -0.3370    1.8588 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7340    0.1041   -0.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0991    1.9983   -2.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9811    0.0939   -2.6302 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7619    1.7515   -2.0733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0349    0.3201   -0.8641 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9400    0.1056    1.8634 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8498   -1.5360    1.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9115    0.0707   -0.4395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5449   -0.9541    1.8808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2929   -2.4302   -0.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6043   -1.1211   -1.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1135   -0.4519   -1.5167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3919   -1.2124   -1.3489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0031   -3.1076    0.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2601   -4.2316    1.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9663   -3.5142    1.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0582    0.2682    1.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4341    3.0945    1.6114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8626    2.7449   -0.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7302    3.8482    2.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 22 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 10  4  1  0
 29 24  1  0
  1 37  1  0
  1 38  1  0
  2 39  1  0
  3 40  1  0
  3 41  1  0
  5 42  1  0
  6 43  1  0
  8 44  1  0
  9 45  1  0
 10 46  1  0
 13 47  1  0
 14 48  1  0
 14 49  1  0
 17 50  1  0
 18 51  1  0
 18 52  1  0
 21 53  1  0
 22 54  1  0
 23 55  1  0
 23 56  1  0
 25 57  1  0
 26 58  1  0
 27 59  1  0
 28 60  1  0
 29 61  1  0
 32 62  1  0
 33 63  1  0
 33 64  1  0
 36 65  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       3.626 -22.179   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.694 -21.069   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.189 -21.439   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.616 -22.919   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.548 -24.028   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.053 -23.659   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.111 -23.289   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.179 -22.179   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.752 -20.699   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       9.819 -19.590   0.000  0.00  0.00           O+0
HETATM   11  N   UNK     0       7.257 -20.329   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       6.830 -18.850   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.335 -18.480   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       4.267 -19.590   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       4.908 -17.000   0.000  0.00  0.00           O+0
HETATM   16  N   UNK     0      10.674 -22.549   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      11.742 -21.439   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      11.314 -19.960   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      13.236 -21.809   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0      14.304 -20.699   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0      15.799 -21.069   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      16.226 -22.549   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      16.867 -19.960   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0      18.362 -20.329   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0      19.430 -19.220   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      19.003 -17.740   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      20.925 -19.590   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      21.992 -18.480   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      23.487 -18.850   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      24.555 -17.740   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      26.050 -18.110   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      26.477 -19.590   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      25.409 -20.699   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      23.914 -20.329   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      27.972 -19.960   0.000  0.00  0.00           O+0
HETATM   36  N   UNK     0      21.352 -21.069   0.000  0.00  0.00           N+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    7                                                  
CONECT    5    4    6                                                       
CONECT    6    5    1                                                       
CONECT    7    4    8                                                       
CONECT    8    7    9   16                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16    8   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   36                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   34                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   35                                                  
CONECT   33   32   34                                                       
CONECT   34   33   29                                                       
CONECT   35   32                                                            
CONECT   36   27                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   74    0
END

COMPND    HMDB0259341
HETATM    1  N1  UNL     1       6.865  -1.073  -2.341  1.00  0.00           N  
HETATM    2  C1  UNL     1       6.061   0.129  -2.486  1.00  0.00           C  
HETATM    3  C2  UNL     1       6.652   1.301  -1.789  1.00  0.00           C  
HETATM    4  C3  UNL     1       6.800   1.039  -0.352  1.00  0.00           C  
HETATM    5  C4  UNL     1       5.825   1.408   0.536  1.00  0.00           C  
HETATM    6  C5  UNL     1       5.973   1.153   1.902  1.00  0.00           C  
HETATM    7  C6  UNL     1       7.116   0.526   2.336  1.00  0.00           C  
HETATM    8  O1  UNL     1       7.283   0.264   3.693  1.00  0.00           O  
HETATM    9  C7  UNL     1       8.112   0.146   1.455  1.00  0.00           C  
HETATM   10  C8  UNL     1       7.938   0.412   0.102  1.00  0.00           C  
HETATM   11  C9  UNL     1       4.644  -0.063  -2.148  1.00  0.00           C  
HETATM   12  O2  UNL     1       4.206  -1.203  -1.844  1.00  0.00           O  
HETATM   13  N2  UNL     1       3.750   1.023  -2.162  1.00  0.00           N  
HETATM   14  C10 UNL     1       2.366   0.829  -1.859  1.00  0.00           C  
HETATM   15  C11 UNL     1       2.065   0.261  -0.543  1.00  0.00           C  
HETATM   16  O3  UNL     1       2.996  -0.036   0.240  1.00  0.00           O  
HETATM   17  N3  UNL     1       0.697   0.064  -0.197  1.00  0.00           N  
HETATM   18  C12 UNL     1       0.401  -0.490   1.087  1.00  0.00           C  
HETATM   19  C13 UNL     1      -1.019  -0.674   1.403  1.00  0.00           C  
HETATM   20  O4  UNL     1      -1.318  -1.165   2.538  1.00  0.00           O  
HETATM   21  N4  UNL     1      -2.033  -0.333   0.507  1.00  0.00           N  
HETATM   22  C14 UNL     1      -3.468  -0.528   0.851  1.00  0.00           C  
HETATM   23  C15 UNL     1      -3.933  -1.512  -0.186  1.00  0.00           C  
HETATM   24  C16 UNL     1      -5.323  -1.916  -0.134  1.00  0.00           C  
HETATM   25  C17 UNL     1      -6.318  -1.286  -0.863  1.00  0.00           C  
HETATM   26  C18 UNL     1      -7.619  -1.719  -0.768  1.00  0.00           C  
HETATM   27  C19 UNL     1      -7.983  -2.769   0.033  1.00  0.00           C  
HETATM   28  C20 UNL     1      -7.014  -3.404   0.760  1.00  0.00           C  
HETATM   29  C21 UNL     1      -5.704  -2.970   0.667  1.00  0.00           C  
HETATM   30  C22 UNL     1      -4.099   0.802   0.738  1.00  0.00           C  
HETATM   31  O5  UNL     1      -3.410   1.762   0.303  1.00  0.00           O  
HETATM   32  N5  UNL     1      -5.461   1.037   1.107  1.00  0.00           N  
HETATM   33  C23 UNL     1      -6.003   2.376   0.959  1.00  0.00           C  
HETATM   34  C24 UNL     1      -7.398   2.385   1.392  1.00  0.00           C  
HETATM   35  O6  UNL     1      -7.947   1.334   1.812  1.00  0.00           O  
HETATM   36  O7  UNL     1      -8.174   3.535   1.360  1.00  0.00           O  
HETATM   37  H1  UNL     1       6.442  -1.693  -1.587  1.00  0.00           H  
HETATM   38  H2  UNL     1       6.865  -1.664  -3.204  1.00  0.00           H  
HETATM   39  H3  UNL     1       6.066   0.325  -3.611  1.00  0.00           H  
HETATM   40  H4  UNL     1       6.058   2.231  -1.931  1.00  0.00           H  
HETATM   41  H5  UNL     1       7.652   1.511  -2.247  1.00  0.00           H  
HETATM   42  H6  UNL     1       4.925   1.902   0.218  1.00  0.00           H  
HETATM   43  H7  UNL     1       5.223   1.433   2.617  1.00  0.00           H  
HETATM   44  H8  UNL     1       8.111  -0.194   4.038  1.00  0.00           H  
HETATM   45  H9  UNL     1       8.974  -0.337   1.859  1.00  0.00           H  
HETATM   46  H10 UNL     1       8.734   0.104  -0.571  1.00  0.00           H  
HETATM   47  H11 UNL     1       4.099   1.998  -2.399  1.00  0.00           H  
HETATM   48  H12 UNL     1       1.981   0.094  -2.630  1.00  0.00           H  
HETATM   49  H13 UNL     1       1.762   1.752  -2.073  1.00  0.00           H  
HETATM   50  H14 UNL     1      -0.035   0.320  -0.864  1.00  0.00           H  
HETATM   51  H15 UNL     1       0.940   0.106   1.863  1.00  0.00           H  
HETATM   52  H16 UNL     1       0.850  -1.536   1.072  1.00  0.00           H  
HETATM   53  H17 UNL     1      -1.911   0.071  -0.440  1.00  0.00           H  
HETATM   54  H18 UNL     1      -3.545  -0.954   1.881  1.00  0.00           H  
HETATM   55  H19 UNL     1      -3.293  -2.430  -0.024  1.00  0.00           H  
HETATM   56  H20 UNL     1      -3.604  -1.121  -1.173  1.00  0.00           H  
HETATM   57  H21 UNL     1      -6.113  -0.452  -1.517  1.00  0.00           H  
HETATM   58  H22 UNL     1      -8.392  -1.212  -1.349  1.00  0.00           H  
HETATM   59  H23 UNL     1      -9.003  -3.108   0.106  1.00  0.00           H  
HETATM   60  H24 UNL     1      -7.260  -4.232   1.400  1.00  0.00           H  
HETATM   61  H25 UNL     1      -4.966  -3.514   1.271  1.00  0.00           H  
HETATM   62  H26 UNL     1      -6.058   0.268   1.488  1.00  0.00           H  
HETATM   63  H27 UNL     1      -5.434   3.094   1.611  1.00  0.00           H  
HETATM   64  H28 UNL     1      -5.863   2.745  -0.076  1.00  0.00           H  
HETATM   65  H29 UNL     1      -8.730   3.848   2.143  1.00  0.00           H  
CONECT    1    2   37   38
CONECT    2    3   11   39
CONECT    3    4   40   41
CONECT    4    5    5   10
CONECT    5    6   42
CONECT    6    7    7   43
CONECT    7    8    9
CONECT    8   44
CONECT    9   10   10   45
CONECT   10   46
CONECT   11   12   12   13
CONECT   13   14   47
CONECT   14   15   48   49
CONECT   15   16   16   17
CONECT   17   18   50
CONECT   18   19   51   52
CONECT   19   20   20   21
CONECT   21   22   53
CONECT   22   23   30   54
CONECT   23   24   55   56
CONECT   24   25   25   29
CONECT   25   26   57
CONECT   26   27   27   58
CONECT   27   28   59
CONECT   28   29   29   60
CONECT   29   61
CONECT   30   31   31   32
CONECT   32   33   62
CONECT   33   34   63   64
CONECT   34   35   35   36
CONECT   36   65
END

HMDB0259341
     RDKit          3D
Tyr-Gly-Gly-Phe-Gly-OH
 65 66  0  0  0  0  0  0  0  0999 V2000
    6.8650   -1.0726   -2.3414 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    0.1288   -2.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6524    1.3008   -1.7894 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8002    1.0391   -0.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250    1.4079    0.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9729    1.1535    1.9025 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1156    0.5264    2.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2832    0.2636    3.6935 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1118    0.1464    1.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9376    0.4120    0.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6440   -0.0629   -2.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2057   -1.2029   -1.8440 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7501    1.0234   -2.1615 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3663    0.8294   -1.8589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0650    0.2608   -0.5426 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9956   -0.0365    0.2404 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6973    0.0642   -0.1969 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4014   -0.4903    1.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0189   -0.6744    1.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3181   -1.1646    2.5382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0326   -0.3327    0.5071 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4679   -0.5282    0.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9331   -1.5119   -0.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3229   -1.9164   -0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3178   -1.2863   -0.8627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6193   -1.7192   -0.7683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9830   -2.7691    0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0144   -3.4037    0.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7037   -2.9701    0.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0987    0.8021    0.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4098    1.7619    0.3033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4615    1.0366    1.1072 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0033    2.3756    0.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3984    2.3849    1.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9472    1.3338    1.8122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1736    3.5351    1.3602 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4416   -1.6927   -1.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8648   -1.6636   -3.2038 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0663    0.3249   -3.6113 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.2309   -1.9308 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6521    1.5108   -2.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250    1.9025    0.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2228    1.4331    2.6170 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1113   -0.1943    4.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9742   -0.3370    1.8588 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7340    0.1041   -0.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0991    1.9983   -2.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9811    0.0939   -2.6302 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7619    1.7515   -2.0733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0349    0.3201   -0.8641 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9400    0.1056    1.8634 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8498   -1.5360    1.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9115    0.0707   -0.4395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5449   -0.9541    1.8808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2929   -2.4302   -0.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6043   -1.1211   -1.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1135   -0.4519   -1.5167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3919   -1.2124   -1.3489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0031   -3.1076    0.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2601   -4.2316    1.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9663   -3.5142    1.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0582    0.2682    1.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4341    3.0945    1.6114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8626    2.7449   -0.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7302    3.8482    2.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 22 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 10  4  1  0
 29 24  1  0
  1 37  1  0
  1 38  1  0
  2 39  1  0
  3 40  1  0
  3 41  1  0
  5 42  1  0
  6 43  1  0
  8 44  1  0
  9 45  1  0
 10 46  1  0
 13 47  1  0
 14 48  1  0
 14 49  1  0
 17 50  1  0
 18 51  1  0
 18 52  1  0
 21 53  1  0
 22 54  1  0
 23 55  1  0
 23 56  1  0
 25 57  1  0
 26 58  1  0
 27 59  1  0
 28 60  1  0
 29 61  1  0
 32 62  1  0
 33 63  1  0
 33 64  1  0
 36 65  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-{[2-({2-[(2-{[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1-hydroxyethylidene)amino]-1-hydroxyethylidene}amino)-1-hydroxy-3-phenylpropylidene]amino}acetate	HMDB

Chemical Formula

C₂₄H₂₉N₅O₇

Average Molecular Weight

499.524

Monoisotopic Molecular Weight

499.206698294

IUPAC Name

2-[2-(2-{2-[2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-phenylpropanamido]acetic acid

Traditional Name

[2-(2-{2-[2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-phenylpropanamido]acetic acid

CAS Registry Number

Not Available

SMILES

NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(O)=O

InChI Identifier

InChI=1S/C24H29N5O7/c25-18(10-16-6-8-17(30)9-7-16)23(35)27-12-20(31)26-13-21(32)29-19(24(36)28-14-22(33)34)11-15-4-2-1-3-5-15/h1-9,18-19,30H,10-14,25H2,(H,26,31)(H,27,35)(H,28,36)(H,29,32)(H,33,34)

InChI Key

CJXBPYBHEPRPPC-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Tyrosine or derivatives
Phenylalanine or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Alpha-amino acid amide
Amphetamine or derivatives
Alpha-amino acid or derivatives
N-substituted-alpha-amino acid
1-hydroxy-2-unsubstituted benzenoid
Aralkylamine
Phenol
Fatty acyl
Benzenoid
Fatty amide
Monocyclic benzene moiety
Amino acid
Secondary carboxylic acid amide
Carboxamide group
Amino acid or derivatives
Monocarboxylic acid or derivatives
Carboxylic acid
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Carbonyl group
Amine
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	0.03	ALOGPS
logP	-3.7	ChemAxon
logS	-4.1	ALOGPS
pKa (Strongest Acidic)	3.54	ChemAxon
pKa (Strongest Basic)	7.73	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	199.95 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	127.42 m³·mol⁻¹	ChemAxon
Polarizability	51.09 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	213.24	30932474
DeepCCS	[M-H]-	210.845	30932474
DeepCCS	[M-2H]-	243.729	30932474
DeepCCS	[M+Na]+	219.153	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Tyr-Gly-Gly-Phe-Gly-OH	NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(O)=O	5342.7	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH	NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(O)=O	2982.4	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH	NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(O)=O	5037.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #1	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C	4450.1	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #1	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C	3925.6	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #1	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C	5919.2	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #10	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C	4499.4	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #10	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C	3944.2	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #10	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C	5907.1	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #11	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C=C1	4336.3	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #11	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C=C1	4012.8	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #11	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C=C1	6228.0	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #12	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)NCC(=O)N(C(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C=C1	4331.7	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #12	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)NCC(=O)N(C(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C=C1	3989.1	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #12	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)NCC(=O)N(C(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C=C1	6210.7	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #13	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C=C1	4387.3	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #13	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C=C1	3971.7	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #13	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C=C1	6158.9	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #14	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)NCC(=O)N(CC(=O)N(C(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C=C1	4345.9	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #14	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)NCC(=O)N(CC(=O)N(C(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C=C1	3982.9	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #14	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)NCC(=O)N(CC(=O)N(C(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C=C1	6396.0	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #15	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)NCC(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C=C1	4387.0	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #15	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)NCC(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C=C1	3988.8	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #15	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)NCC(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C=C1	6323.9	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #16	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)NCC(=O)NCC(=O)N(C(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C=C1	4375.3	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #16	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)NCC(=O)NCC(=O)N(C(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C=C1	3955.8	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #16	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)NCC(=O)NCC(=O)N(C(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C=C1	6328.9	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #17	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	4495.5	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #17	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	4037.1	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #17	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	6120.8	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #18	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	4403.1	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #18	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	3989.2	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #18	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	6013.7	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #19	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	4392.3	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #19	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	4011.5	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #19	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	6054.0	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #2	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4373.7	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #2	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3872.6	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #2	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	6346.8	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #20	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	4372.0	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #20	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	3980.8	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #20	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	6046.3	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #21	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	4407.4	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #21	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3943.2	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #21	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	6028.9	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #22	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	4265.1	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #22	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	3955.5	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #22	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	6552.2	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #23	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	4259.6	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #23	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	3985.9	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #23	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	6556.0	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #24	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	4277.9	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #24	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	3973.2	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #24	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	6374.9	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #25	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	4237.6	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #25	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	3994.3	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #25	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	6588.9	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #26	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	4240.4	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #26	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	3998.0	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #26	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	6386.0	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #27	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	4254.7	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #27	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	4014.5	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #27	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	6417.6	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #28	C[Si](C)(C)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	4536.5	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #28	C[Si](C)(C)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	4095.0	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #28	C[Si](C)(C)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	6123.1	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #29	C[Si](C)(C)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)C(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	4519.3	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #29	C[Si](C)(C)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)C(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	4129.3	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #29	C[Si](C)(C)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)C(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	6156.1	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #3	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4320.5	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #3	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3905.9	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #3	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	6367.7	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #30	C[Si](C)(C)N(C(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(CC1=CC=CC=C1)C(=O)NCC(=O)O	4514.1	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #30	C[Si](C)(C)N(C(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(CC1=CC=CC=C1)C(=O)NCC(=O)O	4088.3	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #30	C[Si](C)(C)N(C(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(CC1=CC=CC=C1)C(=O)NCC(=O)O	6168.1	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #31	C[Si](C)(C)N(CC(=O)O)C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	4547.5	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #31	C[Si](C)(C)N(CC(=O)O)C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	4085.8	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #31	C[Si](C)(C)N(CC(=O)O)C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	6105.0	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #32	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C	4392.0	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #32	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C	4077.7	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #32	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C	6052.4	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #33	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C	4387.1	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #33	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C	4052.7	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #33	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C	6053.8	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #34	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	4437.7	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #34	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	4042.0	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #34	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	6002.1	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #35	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C	4381.6	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #35	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C	4053.5	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #35	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C	6103.4	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #36	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	4421.3	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #36	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	4064.5	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #36	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	6037.0	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #37	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	4385.1	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #37	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	4027.0	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #37	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	6050.8	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #38	C[Si](C)(C)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	4240.3	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #38	C[Si](C)(C)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	4084.1	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #38	C[Si](C)(C)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	6428.6	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #39	C[Si](C)(C)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	4274.7	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #39	C[Si](C)(C)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	4096.7	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #39	C[Si](C)(C)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	6360.2	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #4	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4349.1	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #4	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3933.8	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #4	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	6382.4	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #40	C[Si](C)(C)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)C(N)CC1=CC=C(O)C=C1	4282.0	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #40	C[Si](C)(C)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)C(N)CC1=CC=C(O)C=C1	4066.9	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #40	C[Si](C)(C)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)C(N)CC1=CC=C(O)C=C1	6350.5	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #41	C[Si](C)(C)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1	4270.1	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #41	C[Si](C)(C)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1	4063.5	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #41	C[Si](C)(C)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1	6535.8	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #5	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4338.4	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #5	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	3918.0	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #5	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	6202.5	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #6	C[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4544.1	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #6	C[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4023.3	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #6	C[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1	6011.2	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #7	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C	4497.8	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #7	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C	3973.0	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #7	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C	5915.8	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #8	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C	4474.2	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #8	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C	3999.7	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #8	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C	5954.8	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #9	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C	4449.3	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #9	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C	3961.2	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TMS,isomer #9	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C	5960.6	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #1	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C	4448.9	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #1	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C	3990.4	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #1	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C	5643.0	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #10	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	4235.5	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #10	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	3926.3	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #10	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	5904.5	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #11	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CN(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	4269.2	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #11	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CN(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	3943.2	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #11	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CN(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	5934.2	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #12	C[Si](C)(C)OC1=CC=C(CC(C(=O)N(CC(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4501.4	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #12	C[Si](C)(C)OC1=CC=C(CC(C(=O)N(CC(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4040.8	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #12	C[Si](C)(C)OC1=CC=C(CC(C(=O)N(CC(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	5657.4	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #13	C[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4490.5	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #13	C[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4066.8	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #13	C[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	5680.8	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #14	C[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=O)NCC(=O)N(C(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4479.1	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #14	C[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=O)NCC(=O)N(C(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4030.2	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #14	C[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=O)NCC(=O)N(C(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	5690.5	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #15	C[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4516.7	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #15	C[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4023.8	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #15	C[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	5645.1	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #16	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C	4375.0	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #16	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C	4023.8	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #16	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C	5610.8	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #17	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C	4349.6	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #17	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C	3999.7	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #17	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C	5609.3	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #18	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	4403.5	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #18	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	3991.2	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #18	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	5570.5	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #19	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C	4357.0	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #19	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C	4002.6	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #19	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C	5652.2	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #2	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	4371.0	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #2	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	3946.6	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #2	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	5560.2	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #20	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	4394.1	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #20	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	4009.7	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #20	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	5598.3	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #21	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	4378.8	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #21	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	3980.3	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #21	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	5613.1	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #22	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)N(CC(=O)N(C(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	4265.8	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #22	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)N(CC(=O)N(C(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	4000.3	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #22	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)N(CC(=O)N(C(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	5952.4	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #23	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	4295.8	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #23	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	4010.9	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #23	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	5900.3	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #24	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)NCC(=O)N(C(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	4299.4	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #24	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)NCC(=O)N(C(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	3988.2	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #24	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)NCC(=O)N(C(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	5889.5	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #25	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)NCC(=O)N(CC(=O)N(C(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	4307.2	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #25	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)NCC(=O)N(CC(=O)N(C(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	4002.0	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #25	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)NCC(=O)N(CC(=O)N(C(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	6035.1	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #26	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4449.3	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #26	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4026.0	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #26	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5735.2	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #27	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4430.4	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #27	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4051.0	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #27	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5751.7	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #28	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4449.8	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #28	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4081.2	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #28	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5755.1	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #29	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4465.9	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #29	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4056.9	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #29	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5731.4	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #3	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	4355.6	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #3	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	3964.7	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #3	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	5591.8	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #30	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4309.1	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #30	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4036.6	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #30	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5672.0	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #31	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4290.2	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #31	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4021.2	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #31	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5657.3	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #32	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4314.3	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #32	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3992.1	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #32	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5647.5	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #33	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4286.8	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #33	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4021.8	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #33	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5701.4	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #34	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4299.1	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #34	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4008.9	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #34	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5676.0	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #35	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4301.8	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #35	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3982.7	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #35	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5682.0	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #36	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4204.3	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #36	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4009.8	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #36	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6208.3	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #37	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4204.6	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #37	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3997.6	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #37	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6047.8	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #38	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4207.0	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #38	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4014.5	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #38	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6068.1	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #39	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4191.9	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #39	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4013.4	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #39	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6084.9	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #4	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	4335.8	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #4	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	3940.8	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #4	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	5587.2	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #40	C[Si](C)(C)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)C(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4457.9	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #40	C[Si](C)(C)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)C(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4142.8	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #40	C[Si](C)(C)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)C(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5776.4	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #41	C[Si](C)(C)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	4458.9	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #41	C[Si](C)(C)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	4118.2	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #41	C[Si](C)(C)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	5779.9	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #42	C[Si](C)(C)N(CC(=O)O)C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4495.1	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #42	C[Si](C)(C)N(CC(=O)O)C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4112.1	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #42	C[Si](C)(C)N(CC(=O)O)C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5739.5	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #43	C[Si](C)(C)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	4452.8	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #43	C[Si](C)(C)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	4128.0	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #43	C[Si](C)(C)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	5813.4	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #44	C[Si](C)(C)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	4483.7	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #44	C[Si](C)(C)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	4142.3	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #44	C[Si](C)(C)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	5758.5	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #45	C[Si](C)(C)N(CC(=O)O)C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4469.9	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #45	C[Si](C)(C)N(CC(=O)O)C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4104.5	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #45	C[Si](C)(C)N(CC(=O)O)C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5775.3	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #46	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4293.0	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #46	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4088.8	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #46	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5726.2	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #47	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4335.5	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #47	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4102.2	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #47	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5675.5	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #48	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4321.0	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #48	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4079.5	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #48	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5681.8	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #49	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4305.5	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #49	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4076.2	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #49	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5720.9	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #5	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	4369.9	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #5	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3910.0	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #5	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	5572.1	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #50	C[Si](C)(C)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	4215.9	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #50	C[Si](C)(C)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	4085.1	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #50	C[Si](C)(C)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	6051.5	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #6	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	4273.2	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #6	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	3912.4	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #6	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	6039.9	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #7	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	4249.2	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #7	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	3933.0	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #7	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	6044.8	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #8	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	4267.8	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #8	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	3909.1	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #8	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	5900.5	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #9	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	4235.7	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #9	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	3939.8	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,4TMS,isomer #9	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	6069.7	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4421.3	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3993.3	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5331.8	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #10	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4283.1	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #10	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3945.9	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #10	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5282.2	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #11	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4239.9	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #11	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3969.0	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #11	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5780.6	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #12	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4238.1	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #12	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3951.1	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #12	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5641.4	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #13	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CN(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4229.1	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #13	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CN(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3968.2	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #13	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CN(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5660.0	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #14	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)CN(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4229.1	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #14	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)CN(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3965.8	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #14	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)CN(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5672.4	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #15	C[Si](C)(C)OC1=CC=C(CC(C(=O)N(CC(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4482.4	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #15	C[Si](C)(C)OC1=CC=C(CC(C(=O)N(CC(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4100.5	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #15	C[Si](C)(C)OC1=CC=C(CC(C(=O)N(CC(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	5372.9	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #16	C[Si](C)(C)OC1=CC=C(CC(C(=O)N(CC(=O)NCC(=O)N(C(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4465.2	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #16	C[Si](C)(C)OC1=CC=C(CC(C(=O)N(CC(=O)NCC(=O)N(C(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4075.2	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #16	C[Si](C)(C)OC1=CC=C(CC(C(=O)N(CC(=O)NCC(=O)N(C(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	5374.5	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #17	C[Si](C)(C)OC1=CC=C(CC(C(=O)N(CC(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4510.6	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #17	C[Si](C)(C)OC1=CC=C(CC(C(=O)N(CC(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4069.9	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #17	C[Si](C)(C)OC1=CC=C(CC(C(=O)N(CC(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	5343.9	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #18	C[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=O)N(CC(=O)N(C(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4452.9	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #18	C[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=O)N(CC(=O)N(C(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4079.7	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #18	C[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=O)N(CC(=O)N(C(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	5400.5	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #19	C[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4495.4	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #19	C[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4087.1	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #19	C[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	5358.7	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #2	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4398.9	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #2	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4006.0	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #2	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5341.7	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #20	C[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=O)NCC(=O)N(C(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4481.6	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #20	C[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=O)NCC(=O)N(C(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4060.1	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #20	C[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=O)NCC(=O)N(C(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	5371.8	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #21	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4309.7	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #21	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4045.9	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #21	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5330.9	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #22	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4342.3	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #22	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4057.1	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #22	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5290.9	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #23	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4338.0	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #23	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4037.5	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #23	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5296.1	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #24	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4331.0	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #24	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4034.1	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #24	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5328.0	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #25	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)N(CC(=O)N(C(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	4268.1	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #25	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)N(CC(=O)N(C(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	4040.9	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #25	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)N(CC(=O)N(C(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	5666.8	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #26	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4417.7	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #26	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4079.1	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #26	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5422.6	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #27	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4412.4	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #27	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4103.2	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #27	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5414.4	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #28	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4449.8	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #28	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4084.7	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #28	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5400.9	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #29	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4405.9	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #29	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4107.7	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #29	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5432.5	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #3	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4422.4	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #3	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4031.9	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #3	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CNC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5346.1	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #30	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4428.7	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #30	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4102.2	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #30	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5406.2	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #31	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4448.5	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #31	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4120.1	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #31	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5417.9	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #32	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4238.7	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #32	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4073.5	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #32	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5353.2	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #33	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4243.7	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #33	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4070.8	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #33	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5337.1	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #34	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4248.9	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #34	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4053.9	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #34	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5335.7	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #35	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4248.6	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #35	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4050.8	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #35	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5369.6	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #36	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4189.8	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #36	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4044.1	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #36	C[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5807.9	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #37	C[Si](C)(C)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4437.2	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #37	C[Si](C)(C)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4176.0	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #37	C[Si](C)(C)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C)C(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5487.4	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #38	C[Si](C)(C)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4477.5	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #38	C[Si](C)(C)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4187.0	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #38	C[Si](C)(C)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5443.6	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #39	C[Si](C)(C)N(CC(=O)O)C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4469.5	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #39	C[Si](C)(C)N(CC(=O)O)C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4165.7	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #39	C[Si](C)(C)N(CC(=O)O)C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CN(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5450.5	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #4	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4457.8	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #4	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4017.3	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #4	C[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5328.3	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #40	C[Si](C)(C)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	4452.1	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #40	C[Si](C)(C)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	4168.8	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #40	C[Si](C)(C)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	5476.0	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #41	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4266.4	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #41	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4142.1	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #41	C[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5398.5	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #5	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4291.5	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #5	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3991.8	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #5	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5272.5	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #6	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4270.9	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #6	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3971.0	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #6	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5258.4	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #7	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4292.2	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #7	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3958.0	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #7	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5254.2	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #8	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4253.8	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #8	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3973.3	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #8	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5293.4	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #9	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4268.6	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #9	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3969.4	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,5TMS,isomer #9	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5276.6	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	5115.7	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	4424.7	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	5866.9	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	5128.9	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	4428.0	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	5875.9	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	5056.1	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	4468.7	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	6144.9	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)NCC(=O)N(C(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	5072.8	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)NCC(=O)N(C(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	4448.7	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)NCC(=O)N(C(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	6120.3	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	5084.2	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	4420.4	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)N(CC(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	6107.8	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)NCC(=O)N(CC(=O)N(C(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	5072.5	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)NCC(=O)N(CC(=O)N(C(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	4454.6	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)NCC(=O)N(CC(=O)N(C(CC2=CC=CC=C2)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	6233.1	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)NCC(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	5107.5	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)NCC(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	4441.8	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)NCC(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	6202.8	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)NCC(=O)NCC(=O)N(C(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	5067.2	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)NCC(=O)NCC(=O)N(C(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	4430.4	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)NCC(=O)NCC(=O)N(C(CC2=CC=CC=C2)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	6198.4	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5148.5	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4476.8	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5956.8	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5041.6	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4463.8	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5920.8	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5022.4	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4477.3	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5933.5	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	5080.3	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4372.2	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	6208.0	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5011.9	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4452.5	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5920.4	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5018.1	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4431.5	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5928.0	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4954.3	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4431.1	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6322.0	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4996.4	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4443.5	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6330.4	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4989.2	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4428.9	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6227.8	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4963.2	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4452.9	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6335.0	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4984.7	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4450.6	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6213.0	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4972.1	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4463.5	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6250.8	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5176.9	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4536.6	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5983.1	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)C(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5176.6	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)C(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4547.0	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)C(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5986.0	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	5070.3	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4391.9	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)N(C(=O)CNC(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	6201.2	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N(C(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC1=CC=CC=C1)C(=O)NCC(=O)O	5168.5	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N(C(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC1=CC=CC=C1)C(=O)NCC(=O)O	4516.5	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N(C(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC1=CC=CC=C1)C(=O)NCC(=O)O	5988.6	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5187.0	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4500.1	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5968.9	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5014.0	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4527.1	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5963.8	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5039.0	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4507.4	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5949.5	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5050.7	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4485.1	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5937.6	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5009.1	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4506.6	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5977.7	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5045.0	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4501.8	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5946.5	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5004.7	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4481.5	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5956.5	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4951.7	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4508.0	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	6258.3	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4979.9	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4497.0	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)CN(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	6229.6	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	5087.6	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4413.1	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)CNC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	6225.3	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)C(N)CC1=CC=C(O)C=C1	4971.8	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)C(N)CC1=CC=C(O)C=C1	4489.9	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N(CC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)C(N)CC1=CC=C(O)C=C1	6213.2	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1	4981.4	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1	4493.7	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1	6323.7	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	5076.8	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4398.4	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CN(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	6116.6	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	5237.6	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	4476.2	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)NCC(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1	5902.6	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	5141.7	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	4459.8	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	5880.1	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	5133.7	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	4477.9	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NCC(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	5893.6	Standard polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	5122.8	Semi standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	4449.0	Standard non polar	33892256
Tyr-Gly-Gly-Phe-Gly-OH,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NCC(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	5891.7	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Tyr-Gly-Gly-Phe-Gly-OH GC-MS (Non-derivatized) - 70eV, Positive	splash10-0036-7954500000-544ba511026c63922d8b	2021-09-24	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tyr-Gly-Gly-Phe-Gly-OH GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tyr-Gly-Gly-Phe-Gly-OH GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tyr-Gly-Gly-Phe-Gly-OH GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tyr-Gly-Gly-Phe-Gly-OH GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tyr-Gly-Gly-Phe-Gly-OH GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tyr-Gly-Gly-Phe-Gly-OH GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tyr-Gly-Gly-Phe-Gly-OH GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tyr-Gly-Gly-Phe-Gly-OH GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tyr-Gly-Gly-Phe-Gly-OH GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tyr-Gly-Gly-Phe-Gly-OH GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tyr-Gly-Gly-Phe-Gly-OH GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tyr-Gly-Gly-Phe-Gly-OH GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tyr-Gly-Gly-Phe-Gly-OH GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tyr-Gly-Gly-Phe-Gly-OH GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tyr-Gly-Gly-Phe-Gly-OH GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tyr-Gly-Gly-Phe-Gly-OH GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tyr-Gly-Gly-Phe-Gly-OH GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tyr-Gly-Gly-Phe-Gly-OH GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tyr-Gly-Gly-Phe-Gly-OH GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tyr-Gly-Gly-Phe-Gly-OH GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tyr-Gly-Gly-Phe-Gly-OH GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tyr-Gly-Gly-Phe-Gly-OH GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tyr-Gly-Gly-Phe-Gly-OH GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tyr-Gly-Gly-Phe-Gly-OH GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

85154736

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for Tyr-Gly-Gly-Phe-Gly-OH (HMDB0259341)

MOL for HMDB0259341 (Tyr-Gly-Gly-Phe-Gly-OH)

3D MOL for HMDB0259341 (Tyr-Gly-Gly-Phe-Gly-OH)

3D SDF for HMDB0259341 (Tyr-Gly-Gly-Phe-Gly-OH)

3D-SDF for HMDB0259341 (Tyr-Gly-Gly-Phe-Gly-OH)

PDB for HMDB0259341 (Tyr-Gly-Gly-Phe-Gly-OH)

3D PDB for HMDB0259341 (Tyr-Gly-Gly-Phe-Gly-OH)

SMILES for HMDB0259341 (Tyr-Gly-Gly-Phe-Gly-OH)

INCHI for HMDB0259341 (Tyr-Gly-Gly-Phe-Gly-OH)

Structure for HMDB0259341 (Tyr-Gly-Gly-Phe-Gly-OH)

3D Structure for HMDB0259341 (Tyr-Gly-Gly-Phe-Gly-OH)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

NMR Spectra