HMDB0040248 RDKit 3D (S,S)-Nt-Histidinylalanine 31 31 0 0 0 0 0 0 0 0999 V2000 4.4783 1.0076 -0.7199 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 0.4763 -0.6759 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 0.8743 0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1371 0.3911 0.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0714 0.9661 0.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0992 0.1630 0.8217 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5193 0.4273 0.6344 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9653 -0.0885 -0.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7111 -1.5160 -0.7420 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4031 0.1909 -0.9413 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8282 1.3641 -0.9573 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2666 -0.8561 -1.1309 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5353 -0.9345 1.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8069 -0.8023 1.3622 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 -0.9934 -0.7887 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1927 -1.7347 -0.7793 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4459 -1.6445 -0.9109 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4176 1.9908 -1.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8593 1.1260 0.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 0.8968 -1.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1943 0.4997 1.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5737 2.0015 0.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1587 1.9349 0.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0895 -0.0388 1.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7419 1.5102 0.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3409 0.3969 -1.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6928 -1.7054 -0.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1148 -1.9546 0.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2125 -0.9057 -0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0876 -1.8008 1.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2692 -1.2422 -0.4612 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 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 2 0 10 12 1 0 6 13 1 0 13 14 2 0 2 15 1 0 15 16 2 0 15 17 1 0 14 4 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 5 23 1 0 7 24 1 0 7 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 12 29 1 0 13 30 1 0 17 31 1 0 M END