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Showing metabocard for Valyl-prolyl-glycyl-valyl-glycine (HMDB0259877)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 22:49:43 UTC
Update Date2021-09-26 23:17:42 UTC
HMDB IDHMDB0259877
Secondary Accession NumbersNone
Metabolite Identification
Common NameValyl-prolyl-glycyl-valyl-glycine
DescriptionValyl-prolyl-glycyl-valyl-glycine 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 Valyl-prolyl-glycyl-valyl-glycine. This compound has been identified in human blood as reported by (PMID: 31557052 ). Valyl-prolyl-glycyl-valyl-glycine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Valyl-prolyl-glycyl-valyl-glycine 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
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0259877 (Valyl-prolyl-glycyl-valyl-glycine)


  Mrv1652309122100502D          

 30 30  0  0  0  0            999 V2000
    1.8750   -3.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0465   -3.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8312   -2.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4334   -2.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6050   -1.6745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3896   -1.4195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9919   -1.1225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1849   -1.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276   -0.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3244    0.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0781   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7926    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7926    0.9355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5070   -0.3020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2215    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9360   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9360   -1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6505    0.1105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3649   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3649   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0794   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6505   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0794    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0794    0.9355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7939   -0.3020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5083    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2228   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9373    0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2228   -1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6488   -2.7364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
  4 30  1  0  0  0  0
M  END
Download

3D MOL for HMDB0259877 (Valyl-prolyl-glycyl-valyl-glycine)

HMDB0259877
     RDKit          3D
Valyl-prolyl-glycyl-valyl-glycine
 63 63  0  0  0  0  0  0  0  0999 V2000
   -8.1920    0.6359    0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7137    0.8208    0.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2921    2.1654   -0.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9973   -0.3410   -0.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5843   -1.5145    0.1928 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5621   -0.1524   -0.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1407    1.0034   -0.6176 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5985   -1.0600    0.2367 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8832   -2.4343    0.7293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8160   -3.2447    0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7465   -2.2690   -0.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1876   -1.0178    0.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4167    0.1421   -0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8851    0.6776   -1.1150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2465    0.5525    0.5566 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8778    0.9479    1.1843 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1222    0.8914    0.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9348    0.5225   -0.8711 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4158    1.2134    0.7806 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5436    1.1160   -0.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1366   -0.2396    0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1030   -0.7183    1.2232 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7175   -0.9621   -1.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2746   -2.2693   -0.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3776   -2.2193    0.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7233   -1.1453    0.7353 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0068   -3.4389    0.5444 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4855    2.2383    0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6942    2.2703   -0.8015 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7002    3.5301   -0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6940   -0.0509    0.6955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3037    0.2752   -1.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6636    1.6242    0.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6606    0.7090    1.4784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4487    2.5496    0.4521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1604    2.8492    0.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1281    2.0621   -1.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3420   -0.2400   -1.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1983   -1.3852    1.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9549   -2.1826   -0.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6248   -2.3546    1.8306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8733   -2.7870    0.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3573   -3.9419    0.7987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2321   -3.8029   -0.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8318   -2.0104   -1.4458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7273   -2.5655   -0.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9788   -1.2497    1.4759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0851    1.5593   -0.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8440    2.0009    1.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1808    0.3629    2.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5841    1.5135    1.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1515    1.1189   -1.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7647   -0.6053   -1.9780 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4165   -2.8735   -0.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6168   -2.7775   -1.6766 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6059   -4.0437    1.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8245    2.1431    1.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4462    2.9113   -1.6915 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9599    1.2464   -1.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5391    2.6864   -0.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6948    3.3484   -0.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2397    4.1889   -0.7749 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5453    4.0208    0.9273 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 20 28  1  0
 28 29  1  0
 28 30  1  0
 12  8  1  0
  1 31  1  0
  1 32  1  0
  1 33  1  0
  2 34  1  0
  3 35  1  0
  3 36  1  0
  3 37  1  0
  4 38  1  0
  5 39  1  0
  5 40  1  0
  9 41  1  0
  9 42  1  0
 10 43  1  0
 10 44  1  0
 11 45  1  0
 11 46  1  0
 12 47  1  0
 15 48  1  0
 16 49  1  0
 16 50  1  0
 19 51  1  0
 20 52  1  0
 23 53  1  0
 24 54  1  0
 24 55  1  0
 27 56  1  0
 28 57  1  0
 29 58  1  0
 29 59  1  0
 29 60  1  0
 30 61  1  0
 30 62  1  0
 30 63  1  0
M  END
Download

3D SDF for HMDB0259877 (Valyl-prolyl-glycyl-valyl-glycine)


  Mrv1652309122100502D          

 30 30  0  0  0  0            999 V2000
    1.8750   -3.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0465   -3.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8312   -2.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4334   -2.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6050   -1.6745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3896   -1.4195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9919   -1.1225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1849   -1.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276   -0.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3244    0.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0781   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7926    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7926    0.9355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5070   -0.3020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2215    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9360   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9360   -1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6505    0.1105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3649   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3649   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0794   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6505   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0794    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0794    0.9355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7939   -0.3020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5083    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2228   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9373    0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2228   -1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6488   -2.7364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
  4 30  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0259877

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(C)C)C(=O)NCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C19H33N5O6/c1-10(2)15(20)19(30)24-7-5-6-12(24)17(28)21-8-13(25)23-16(11(3)4)18(29)22-9-14(26)27/h10-12,15-16H,5-9,20H2,1-4H3,(H,21,28)(H,22,29)(H,23,25)(H,26,27)

> <INCHI_KEY>
LFTRJWKKLPVMNE-UHFFFAOYSA-N

> <FORMULA>
C19H33N5O6

> <MOLECULAR_WEIGHT>
427.502

> <EXACT_MASS>
427.243083803

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
63

> <JCHEM_AVERAGE_POLARIZABILITY>
44.221006767722784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[2-(2-{[1-(2-amino-3-methylbutanoyl)pyrrolidin-2-yl]formamido}acetamido)-3-methylbutanamido]acetic acid

> <ALOGPS_LOGP>
-0.22

> <JCHEM_LOGP>
-4.079252660318415

> <ALOGPS_LOGS>
-2.25

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.157335204153146

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.607477038224922

> <JCHEM_PKA_STRONGEST_BASIC>
8.206297739444818

> <JCHEM_POLAR_SURFACE_AREA>
170.93

> <JCHEM_REFRACTIVITY>
106.37939999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.39e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[2-(2-{[1-(2-amino-3-methylbutanoyl)pyrrolidin-2-yl]formamido}acetamido)-3-methylbutanamido]acetic acid

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0259877 (Valyl-prolyl-glycyl-valyl-glycine)

HMDB0259877
     RDKit          3D
Valyl-prolyl-glycyl-valyl-glycine
 63 63  0  0  0  0  0  0  0  0999 V2000
   -8.1920    0.6359    0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7137    0.8208    0.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2921    2.1654   -0.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9973   -0.3410   -0.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5843   -1.5145    0.1928 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5621   -0.1524   -0.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1407    1.0034   -0.6176 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5985   -1.0600    0.2367 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8832   -2.4343    0.7293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8160   -3.2447    0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7465   -2.2690   -0.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1876   -1.0178    0.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4167    0.1421   -0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8851    0.6776   -1.1150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2465    0.5525    0.5566 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8778    0.9479    1.1843 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1222    0.8914    0.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9348    0.5225   -0.8711 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4158    1.2134    0.7806 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5436    1.1160   -0.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1366   -0.2396    0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1030   -0.7183    1.2232 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7175   -0.9621   -1.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2746   -2.2693   -0.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3776   -2.2193    0.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7233   -1.1453    0.7353 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0068   -3.4389    0.5444 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4855    2.2383    0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6942    2.2703   -0.8015 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7002    3.5301   -0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6940   -0.0509    0.6955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3037    0.2752   -1.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6636    1.6242    0.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6606    0.7090    1.4784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4487    2.5496    0.4521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1604    2.8492    0.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1281    2.0621   -1.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3420   -0.2400   -1.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1983   -1.3852    1.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9549   -2.1826   -0.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6248   -2.3546    1.8306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8733   -2.7870    0.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3573   -3.9419    0.7987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2321   -3.8029   -0.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8318   -2.0104   -1.4458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7273   -2.5655   -0.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9788   -1.2497    1.4759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0851    1.5593   -0.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8440    2.0009    1.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1808    0.3629    2.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5841    1.5135    1.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1515    1.1189   -1.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7647   -0.6053   -1.9780 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4165   -2.8735   -0.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6168   -2.7775   -1.6766 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6059   -4.0437    1.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8245    2.1431    1.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4462    2.9113   -1.6915 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9599    1.2464   -1.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5391    2.6864   -0.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6948    3.3484   -0.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2397    4.1889   -0.7749 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5453    4.0208    0.9273 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 20 28  1  0
 28 29  1  0
 28 30  1  0
 12  8  1  0
  1 31  1  0
  1 32  1  0
  1 33  1  0
  2 34  1  0
  3 35  1  0
  3 36  1  0
  3 37  1  0
  4 38  1  0
  5 39  1  0
  5 40  1  0
  9 41  1  0
  9 42  1  0
 10 43  1  0
 10 44  1  0
 11 45  1  0
 11 46  1  0
 12 47  1  0
 15 48  1  0
 16 49  1  0
 16 50  1  0
 19 51  1  0
 20 52  1  0
 23 53  1  0
 24 54  1  0
 24 55  1  0
 27 56  1  0
 28 57  1  0
 29 58  1  0
 29 59  1  0
 29 60  1  0
 30 61  1  0
 30 62  1  0
 30 63  1  0
M  END
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PDB for HMDB0259877 (Valyl-prolyl-glycyl-valyl-glycine)

HEADER    PROTEIN                                 12-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-21         0                                  
HETATM    1  C   UNK     0       3.500  -7.169   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.820  -5.663   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.285  -5.187   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.676  -4.632   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.996  -3.126   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       4.461  -2.650   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0       1.851  -2.095   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       0.345  -2.415   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.425  -1.082   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.606   0.063   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.012  -0.564   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.346   0.206   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       3.346   1.746   0.000  0.00  0.00           O+0
HETATM   14  N   UNK     0       4.680  -0.564   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       6.013   0.206   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.347  -0.564   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       7.347  -2.104   0.000  0.00  0.00           O+0
HETATM   18  N   UNK     0       8.681   0.206   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      10.015  -0.564   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.015  -2.104   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      11.348  -2.874   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.681  -2.874   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      11.348   0.206   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      11.348   1.746   0.000  0.00  0.00           O+0
HETATM   25  N   UNK     0      12.682  -0.564   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0      14.016   0.206   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      15.349  -0.564   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      16.683   0.206   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      15.349  -2.104   0.000  0.00  0.00           O+0
HETATM   30  N   UNK     0       1.211  -5.108   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   30                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8   11                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10    7   12                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   23                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   19   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30    4                                                            
MASTER        0    0    0    0    0    0    0    0   30    0   60    0
END
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3D PDB for HMDB0259877 (Valyl-prolyl-glycyl-valyl-glycine)

COMPND    HMDB0259877
HETATM    1  C1  UNL     1      -8.192   0.636   0.008  1.00  0.00           C  
HETATM    2  C2  UNL     1      -6.714   0.821   0.386  1.00  0.00           C  
HETATM    3  C3  UNL     1      -6.292   2.165  -0.134  1.00  0.00           C  
HETATM    4  C4  UNL     1      -5.997  -0.341  -0.327  1.00  0.00           C  
HETATM    5  N1  UNL     1      -6.584  -1.514   0.193  1.00  0.00           N  
HETATM    6  C5  UNL     1      -4.562  -0.152  -0.226  1.00  0.00           C  
HETATM    7  O1  UNL     1      -4.141   1.003  -0.618  1.00  0.00           O  
HETATM    8  N2  UNL     1      -3.598  -1.060   0.237  1.00  0.00           N  
HETATM    9  C6  UNL     1      -3.883  -2.434   0.729  1.00  0.00           C  
HETATM   10  C7  UNL     1      -2.816  -3.245   0.035  1.00  0.00           C  
HETATM   11  C8  UNL     1      -1.747  -2.269  -0.371  1.00  0.00           C  
HETATM   12  C9  UNL     1      -2.188  -1.018   0.432  1.00  0.00           C  
HETATM   13  C10 UNL     1      -1.417   0.142  -0.098  1.00  0.00           C  
HETATM   14  O2  UNL     1      -1.885   0.678  -1.115  1.00  0.00           O  
HETATM   15  N3  UNL     1      -0.246   0.553   0.557  1.00  0.00           N  
HETATM   16  C11 UNL     1       0.878   0.948   1.184  1.00  0.00           C  
HETATM   17  C12 UNL     1       2.122   0.891   0.323  1.00  0.00           C  
HETATM   18  O3  UNL     1       1.935   0.522  -0.871  1.00  0.00           O  
HETATM   19  N4  UNL     1       3.416   1.213   0.781  1.00  0.00           N  
HETATM   20  C13 UNL     1       4.544   1.116  -0.170  1.00  0.00           C  
HETATM   21  C14 UNL     1       5.137  -0.240   0.073  1.00  0.00           C  
HETATM   22  O4  UNL     1       5.103  -0.718   1.223  1.00  0.00           O  
HETATM   23  N5  UNL     1       5.717  -0.962  -1.001  1.00  0.00           N  
HETATM   24  C15 UNL     1       6.275  -2.269  -0.749  1.00  0.00           C  
HETATM   25  C16 UNL     1       7.378  -2.219   0.228  1.00  0.00           C  
HETATM   26  O5  UNL     1       7.723  -1.145   0.735  1.00  0.00           O  
HETATM   27  O6  UNL     1       8.007  -3.439   0.544  1.00  0.00           O  
HETATM   28  C17 UNL     1       5.485   2.238   0.088  1.00  0.00           C  
HETATM   29  C18 UNL     1       6.694   2.270  -0.801  1.00  0.00           C  
HETATM   30  C19 UNL     1       4.700   3.530  -0.048  1.00  0.00           C  
HETATM   31  H1  UNL     1      -8.694  -0.051   0.696  1.00  0.00           H  
HETATM   32  H2  UNL     1      -8.304   0.275  -1.030  1.00  0.00           H  
HETATM   33  H3  UNL     1      -8.664   1.624   0.146  1.00  0.00           H  
HETATM   34  H4  UNL     1      -6.661   0.709   1.478  1.00  0.00           H  
HETATM   35  H5  UNL     1      -5.449   2.550   0.452  1.00  0.00           H  
HETATM   36  H6  UNL     1      -7.160   2.849   0.006  1.00  0.00           H  
HETATM   37  H7  UNL     1      -6.128   2.062  -1.213  1.00  0.00           H  
HETATM   38  H8  UNL     1      -6.342  -0.240  -1.392  1.00  0.00           H  
HETATM   39  H9  UNL     1      -7.198  -1.385   1.008  1.00  0.00           H  
HETATM   40  H10 UNL     1      -6.955  -2.183  -0.512  1.00  0.00           H  
HETATM   41  H11 UNL     1      -3.625  -2.355   1.831  1.00  0.00           H  
HETATM   42  H12 UNL     1      -4.873  -2.787   0.573  1.00  0.00           H  
HETATM   43  H13 UNL     1      -2.357  -3.942   0.799  1.00  0.00           H  
HETATM   44  H14 UNL     1      -3.232  -3.803  -0.833  1.00  0.00           H  
HETATM   45  H15 UNL     1      -1.832  -2.010  -1.446  1.00  0.00           H  
HETATM   46  H16 UNL     1      -0.727  -2.565  -0.116  1.00  0.00           H  
HETATM   47  H17 UNL     1      -1.979  -1.250   1.476  1.00  0.00           H  
HETATM   48  H18 UNL     1      -0.085   1.559  -0.347  1.00  0.00           H  
HETATM   49  H19 UNL     1       0.844   2.001   1.605  1.00  0.00           H  
HETATM   50  H20 UNL     1       1.181   0.363   2.109  1.00  0.00           H  
HETATM   51  H21 UNL     1       3.584   1.513   1.757  1.00  0.00           H  
HETATM   52  H22 UNL     1       4.151   1.119  -1.219  1.00  0.00           H  
HETATM   53  H23 UNL     1       5.765  -0.605  -1.978  1.00  0.00           H  
HETATM   54  H24 UNL     1       5.416  -2.874  -0.329  1.00  0.00           H  
HETATM   55  H25 UNL     1       6.617  -2.778  -1.677  1.00  0.00           H  
HETATM   56  H26 UNL     1       7.606  -4.044   1.271  1.00  0.00           H  
HETATM   57  H27 UNL     1       5.824   2.143   1.154  1.00  0.00           H  
HETATM   58  H28 UNL     1       6.446   2.911  -1.691  1.00  0.00           H  
HETATM   59  H29 UNL     1       6.960   1.246  -1.118  1.00  0.00           H  
HETATM   60  H30 UNL     1       7.539   2.686  -0.204  1.00  0.00           H  
HETATM   61  H31 UNL     1       3.695   3.348  -0.518  1.00  0.00           H  
HETATM   62  H32 UNL     1       5.240   4.189  -0.775  1.00  0.00           H  
HETATM   63  H33 UNL     1       4.545   4.021   0.927  1.00  0.00           H  
CONECT    1    2   31   32   33
CONECT    2    3    4   34
CONECT    3   35   36   37
CONECT    4    5    6   38
CONECT    5   39   40
CONECT    6    7    7    8
CONECT    8    9   12
CONECT    9   10   41   42
CONECT   10   11   43   44
CONECT   11   12   45   46
CONECT   12   13   47
CONECT   13   14   14   15
CONECT   15   16   48
CONECT   16   17   49   50
CONECT   17   18   18   19
CONECT   19   20   51
CONECT   20   21   28   52
CONECT   21   22   22   23
CONECT   23   24   53
CONECT   24   25   54   55
CONECT   25   26   26   27
CONECT   27   56
CONECT   28   29   30   57
CONECT   29   58   59   60
CONECT   30   61   62   63
END
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SMILES for HMDB0259877 (Valyl-prolyl-glycyl-valyl-glycine)

CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(C)C)C(=O)NCC(O)=O
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INCHI for HMDB0259877 (Valyl-prolyl-glycyl-valyl-glycine)

InChI=1S/C19H33N5O6/c1-10(2)15(20)19(30)24-7-5-6-12(24)17(28)21-8-13(25)23-16(11(3)4)18(29)22-9-14(26)27/h10-12,15-16H,5-9,20H2,1-4H3,(H,21,28)(H,22,29)(H,23,25)(H,26,27)
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Synonyms
ValueSource
2-[(2-{[2-({[1-(2-amino-3-methylbutanoyl)pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxyethylidene]amino}-1-hydroxy-3-methylbutylidene)amino]acetateHMDB
Chemical FormulaC19H33N5O6
Average Molecular Weight427.502
Monoisotopic Molecular Weight427.243083803
IUPAC Name2-[2-(2-{[1-(2-amino-3-methylbutanoyl)pyrrolidin-2-yl]formamido}acetamido)-3-methylbutanamido]acetic acid
Traditional Name[2-(2-{[1-(2-amino-3-methylbutanoyl)pyrrolidin-2-yl]formamido}acetamido)-3-methylbutanamido]acetic acid
CAS Registry NumberNot Available
SMILES
CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(C)C)C(=O)NCC(O)=O
InChI Identifier
InChI=1S/C19H33N5O6/c1-10(2)15(20)19(30)24-7-5-6-12(24)17(28)21-8-13(25)23-16(11(3)4)18(29)22-9-14(26)27/h10-12,15-16H,5-9,20H2,1-4H3,(H,21,28)(H,22,29)(H,23,25)(H,26,27)
InChI KeyLFTRJWKKLPVMNE-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.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentOligopeptides
Alternative Parents
Substituents
  • Alpha-oligopeptide
  • Valine or derivatives
  • Proline or derivatives
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • Alpha-amino acid amide
  • N-substituted-alpha-amino acid
  • Alpha-amino acid or derivatives
  • N-acylpyrrolidine
  • Pyrrolidine carboxylic acid or derivatives
  • Pyrrolidine-2-carboxamide
  • N-acyl-amine
  • Fatty amide
  • Fatty acyl
  • Tertiary carboxylic acid amide
  • Pyrrolidine
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Amino acid
  • Carboxamide group
  • Azacycle
  • Carboxylic acid
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Primary aliphatic amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Amine
  • Organic oxide
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-0.22ALOGPS
logP-4.1ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)3.61ChemAxon
pKa (Strongest Basic)8.21ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area170.93 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity106.38 m³·mol⁻¹ChemAxon
Polarizability44.22 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+199.09732859911
AllCCS[M+H-H2O]+197.24732859911
AllCCS[M+Na]+201.26732859911
AllCCS[M+NH4]+200.78632859911
AllCCS[M-H]-202.1732859911
AllCCS[M+Na-2H]-203.07332859911
AllCCS[M+HCOO]-204.20732859911
DeepCCS[M+H]+205.07530932474
DeepCCS[M-H]-202.62330932474
DeepCCS[M-2H]-237.00830932474
DeepCCS[M+Na]+212.23630932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Valyl-prolyl-glycyl-valyl-glycineCC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(C)C)C(=O)NCC(O)=O4042.0Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycineCC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(C)C)C(=O)NCC(O)=O2747.9Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycineCC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(C)C)C(=O)NCC(O)=O3478.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #1CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(N[Si](C)(C)C)C(C)C)C(=O)NCC(=O)O[Si](C)(C)C3452.5Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #1CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(N[Si](C)(C)C)C(C)C)C(=O)NCC(=O)O[Si](C)(C)C3250.7Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #1CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(N[Si](C)(C)C)C(C)C)C(=O)NCC(=O)O[Si](C)(C)C5098.4Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #10CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)N(CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C3368.3Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #10CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)N(CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C3352.4Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #10CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)N(CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C5386.8Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #11CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)N(CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C3336.7Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #11CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)N(CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C3360.4Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #11CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)N(CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C5434.9Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #2CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)NCC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C3340.7Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #2CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)NCC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C3345.3Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #2CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)NCC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C5494.2Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #3CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)NCC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C3303.8Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #3CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)NCC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C3359.2Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #3CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)NCC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C5519.3Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #4CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C3349.9Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #4CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C3334.7Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #4CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C5503.1Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #5CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)NCC(=O)O)C(C)C)[Si](C)(C)C3413.1Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #5CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)NCC(=O)O)C(C)C)[Si](C)(C)C3267.1Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #5CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)NCC(=O)O)C(C)C)[Si](C)(C)C5091.2Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #6CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C)C(=O)NCC(=O)O3468.6Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #6CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C)C(=O)NCC(=O)O3263.0Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #6CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C)C(=O)NCC(=O)O4962.0Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #7CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O3615.1Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #7CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O3292.2Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #7CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O5164.0Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #8CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)N(CC(=O)O)[Si](C)(C)C)C(C)C3485.3Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #8CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)N(CC(=O)O)[Si](C)(C)C)C(C)C3265.1Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #8CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)N(CC(=O)O)[Si](C)(C)C)C(C)C5021.9Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #9CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)NCC(=O)O)C(C)C)[Si](C)(C)C)[Si](C)(C)C3289.9Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #9CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)NCC(=O)O)C(C)C)[Si](C)(C)C)[Si](C)(C)C3340.1Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TMS,isomer #9CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)NCC(=O)O)C(C)C)[Si](C)(C)C)[Si](C)(C)C5463.0Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #1CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)NCC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C3335.3Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #1CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)NCC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C3308.5Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #1CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)NCC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C4625.4Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #10CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)N(CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C3346.1Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #10CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)N(CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C3337.9Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #10CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)N(CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C4606.8Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #11CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O3518.8Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #11CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O3360.4Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #11CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O4618.1Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #12CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)N(CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C3391.6Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #12CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)N(CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C3332.1Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #12CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)N(CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C4507.0Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #13CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C3531.1Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #13CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C3364.3Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #13CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C4681.8Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #14CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)N(CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C3271.8Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #14CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)N(CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C3416.3Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #14CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)N(CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C5087.6Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #2CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C3358.2Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #2CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C3301.4Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #2CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(N[Si](C)(C)C)C(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C4538.0Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #3CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C3509.5Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #3CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C3349.4Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #3CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C4730.5Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #4CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C3359.4Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #4CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C3292.8Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #4CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C4635.0Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #5CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)NCC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C3240.1Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #5CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)NCC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C3398.4Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #5CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)NCC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C5167.3Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #6CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C3273.9Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #6CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C3390.6Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #6CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C5151.5Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #7CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C3252.8Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #7CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C3400.5Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #7CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C5172.4Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #8CC(C)C(C(=O)NCC(=O)O)N(C(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3478.4Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #8CC(C)C(C(=O)NCC(=O)O)N(C(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3371.7Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #8CC(C)C(C(=O)NCC(=O)O)N(C(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4731.5Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #9CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)NCC(=O)O)C(C)C)[Si](C)(C)C)[Si](C)(C)C3317.9Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #9CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)NCC(=O)O)C(C)C)[Si](C)(C)C)[Si](C)(C)C3315.8Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TMS,isomer #9CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)NCC(=O)O)C(C)C)[Si](C)(C)C)[Si](C)(C)C4558.3Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #1CC(C)C(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3433.6Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #1CC(C)C(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3418.3Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #1CC(C)C(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4326.0Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #10CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)N(CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C3290.5Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #10CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)N(CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C3399.9Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #10CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)N(CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C4198.5Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #11CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C3481.7Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #11CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C3440.2Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #11CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C4255.7Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #2CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)NCC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C3279.5Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #2CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)NCC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C3366.5Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #2CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)NCC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C4172.4Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #3CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C3286.4Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #3CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C3376.1Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #3CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C4251.5Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #4CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C3459.4Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #4CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C3405.4Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #4CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C4254.2Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #5CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C3301.7Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #5CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C3372.3Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #5CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C4187.3Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #6CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3443.5Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #6CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3405.2Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #6CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C4344.9Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #7CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C3237.2Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #7CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C3452.8Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #7CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C4873.5Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #8CC(C)C(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3470.5Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #8CC(C)C(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3450.3Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #8CC(C)C(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4343.1Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #9CC(C)C(C(=O)NCC(=O)O)N(C(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3447.1Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #9CC(C)C(C(=O)NCC(=O)O)N(C(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3426.8Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TMS,isomer #9CC(C)C(C(=O)NCC(=O)O)N(C(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4284.9Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,5TMS,isomer #1CC(C)C(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3430.0Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,5TMS,isomer #1CC(C)C(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3494.9Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,5TMS,isomer #1CC(C)C(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3998.8Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,5TMS,isomer #2CC(C)C(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3419.0Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,5TMS,isomer #2CC(C)C(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3482.6Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,5TMS,isomer #2CC(C)C(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3919.9Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,5TMS,isomer #3CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C3260.4Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,5TMS,isomer #3CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C3450.9Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,5TMS,isomer #3CC(C)C(N[Si](C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C3880.3Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,5TMS,isomer #4CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3431.6Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,5TMS,isomer #4CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3488.0Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,5TMS,isomer #4CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3945.4Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,5TMS,isomer #5CC(C)C(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3462.7Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,5TMS,isomer #5CC(C)C(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3524.1Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,5TMS,isomer #5CC(C)C(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3969.7Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,6TMS,isomer #1CC(C)C(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3449.1Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,6TMS,isomer #1CC(C)C(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3577.2Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,6TMS,isomer #1CC(C)C(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3693.9Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #1CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C3912.9Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #1CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C3597.8Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #1CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C4929.4Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #10CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C3858.3Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #10CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C3710.9Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #10CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C5255.5Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #11CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C3859.3Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #11CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C3706.4Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #11CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C5275.7Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #2CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C3848.3Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #2CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C3706.4Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #2CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C5316.5Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #3CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C3847.7Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #3CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C3704.0Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #3CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C5313.3Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #4CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C3856.0Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #4CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C3698.4Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #4CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C5319.8Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #5CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)NCC(=O)O)C(C)C)[Si](C)(C)C(C)(C)C3905.1Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #5CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)NCC(=O)O)C(C)C)[Si](C)(C)C(C)(C)C3607.9Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #5CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)NCC(=O)O)C(C)C)[Si](C)(C)C(C)(C)C4925.2Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #6CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O3899.4Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #6CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O3619.5Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #6CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O4848.5Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #7CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O4032.3Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #7CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O3627.1Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #7CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O5016.6Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #8CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C3933.3Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #8CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C3608.5Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #8CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C4899.7Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #9CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)NCC(=O)O)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3824.2Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #9CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)NCC(=O)O)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3699.1Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,2TBDMS,isomer #9CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)NCC(=O)O)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5293.9Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #1CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C4046.5Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #1CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C3794.2Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #1CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C4570.0Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #10CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C4049.0Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #10CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C3821.0Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #10CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C4595.0Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #11CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O4196.1Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #11CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O3846.8Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #11CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O4588.1Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #12CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C4051.0Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #12CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C3826.0Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #12CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C4539.0Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #13CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C4216.8Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #13CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C3836.8Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #13CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C4642.7Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #14CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4003.5Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #14CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3903.9Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #14CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5005.0Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #2CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C4028.2Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #2CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C3791.6Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #2CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(N[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C4530.8Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #3CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C4184.9Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #3CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C3817.7Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #3CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C4645.5Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #4CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C4040.6Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #4CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C3797.4Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #4CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C4591.8Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #5CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3979.1Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #5CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3887.6Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #5CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C5028.7Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #6CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C3991.6Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #6CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C3896.2Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #6CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C5033.3Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #7CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C3992.8Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #7CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C3902.5Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #7CC(C)C(N)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C5035.8Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #8CC(C)C(C(=O)NCC(=O)O)N(C(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4207.5Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #8CC(C)C(C(=O)NCC(=O)O)N(C(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3841.3Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #8CC(C)C(C(=O)NCC(=O)O)N(C(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4649.1Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #9CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)NCC(=O)O)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4009.7Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #9CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)NCC(=O)O)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3808.7Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,3TBDMS,isomer #9CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)NCC(=O)O)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4555.0Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #1CC(C)C(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4367.5Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #1CC(C)C(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4023.9Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #1CC(C)C(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4373.7Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #10CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4173.9Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #10CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4017.2Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #10CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4352.4Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #11CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C4391.7Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #11CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C4052.9Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #11CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C4352.7Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #2CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4138.9Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #2CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3983.1Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #2CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4309.2Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #3CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C4167.3Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #3CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C4005.1Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #3CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)NCC(=O)N(C(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C4372.5Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #4CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C4346.9Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #4CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C4014.9Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #4CC(C)C(NC(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C4334.0Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #5CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C4162.2Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #5CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C4001.2Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #5CC(C)C(N[Si](C)(C)C(C)(C)C)C(=O)N1CCCC1C(=O)N(CC(=O)NC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C4327.2Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #6CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4351.5Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #6CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4030.9Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #6CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4403.1Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #7CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4150.9Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #7CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4080.5Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #7CC(C)C(N)C(=O)N1CCCC1C(=O)N(CC(=O)N(C(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4859.0Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #8CC(C)C(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4408.3Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #8CC(C)C(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4056.5Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #8CC(C)C(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4406.3Standard polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #9CC(C)C(C(=O)NCC(=O)O)N(C(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4378.3Semi standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #9CC(C)C(C(=O)NCC(=O)O)N(C(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4034.3Standard non polar33892256
Valyl-prolyl-glycyl-valyl-glycine,4TBDMS,isomer #9CC(C)C(C(=O)NCC(=O)O)N(C(=O)CN(C(=O)C1CCCN1C(=O)C(C(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4354.1Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Valyl-prolyl-glycyl-valyl-glycine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0fhc-9324000000-3f4a80722adcff1ce4452021-09-23Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Valyl-prolyl-glycyl-valyl-glycine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Valyl-prolyl-glycyl-valyl-glycine GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Valyl-prolyl-glycyl-valyl-glycine GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Valyl-prolyl-glycyl-valyl-glycine GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Valyl-prolyl-glycyl-valyl-glycine GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Valyl-prolyl-glycyl-valyl-glycine GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Valyl-prolyl-glycyl-valyl-glycine GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Valyl-prolyl-glycyl-valyl-glycine GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Valyl-prolyl-glycyl-valyl-glycine GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Valyl-prolyl-glycyl-valyl-glycine GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Valyl-prolyl-glycyl-valyl-glycine GC-MS (TBDMS_1_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-27Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID10669737
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound21917703
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. 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 ]