Marvin 05131316482D 27 27 0 0 1 0 999 V2000 9.1931 -9.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1931 -9.9304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4786 -8.6928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9076 -8.6928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7641 -9.1054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4786 -7.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3365 -8.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3365 -7.8679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6219 -9.1054 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0509 -9.1054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7641 -7.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7641 -6.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0497 -7.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3353 -7.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0497 -6.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3353 -6.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6219 -9.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9075 -10.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3364 -10.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7701 -7.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4739 -9.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7650 -8.7018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4688 -9.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1935 -8.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4871 -7.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4923 -6.6414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1991 -7.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 3 5 1 1 0 0 0 6 3 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 10 7 1 0 0 0 0 9 4 1 6 0 0 0 11 6 1 0 0 0 0 12 11 2 0 0 0 0 13 11 1 0 0 0 0 15 12 1 0 0 0 0 14 13 2 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 9 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 22 20 1 0 0 0 0 22 21 1 0 0 0 0 23 21 2 0 0 0 0 24 21 1 0 0 0 0 22 10 1 1 0 0 0 20 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M END > CHEBI:73639 > Phe-Val-Asp > A tripeptide composed of L-phenylalanine, L-valine, and L-aspartic acid joined by peptide linkages. > 3 > L-Phe-L-Val-L-Asp; FVD; F-V-D > L-phenylalanyl-L-valyl-L-aspartic acid > C18H25N3O6 > 379.40760 > 379.17434 > 0 > CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O > InChI=1S/C18H25N3O6/c1-10(2)15(17(25)20-13(18(26)27)9-14(22)23)21-16(24)12(19)8-11-6-4-3-5-7-11/h3-7,10,12-13,15H,8-9,19H2,1-2H3,(H,20,25)(H,21,24)(H,22,23)(H,26,27)/t12-,13-,15-/m0/s1 > JSGWNFKWZNPDAV-YDHLFZDLSA-N $$$$