Val-Met-Arg

Properties Image MNX_ID MNXM1128255 reference chebi:166296 formula C16H32N6O4S global charge 0 mol weight 404.537 InChIKey OJPRSVJGNCAKQX-SRVKXCTJSA-N InChI InChI=1S/C16H32N6O4S/c1-9(2)12(17)14(24)21-10(6-8-27-3)13(23)22-11(15(25)26)5-4-7-20-16(18)19/h9-12H,4-8,17H2,1-3H3,(H,21,24)(H,22,23)(H,25,26)(H4,18,19,20)/t10-,11-,12-/m0/s1 SMILES CSCC[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O MNX internals InChI (mnx) InChI=1/C16H32N6O4S/c1-9(2)12(17)14(24)21-10(6-8-27-3)13(23)22-11(15(25)26)5-4-7-20-16(18)19/h9-12H,4-8,17H2,1-3H3,(H,21,24)(H,22,23)(H,25,26)(H4,18,19,20)/t10-,11-,12-/m0/s1 SMILES (mnx) [CH3:1][CH:9]([CH3:2])[C@@H:12]([C:14](=[N:21][C@@H:10]([CH2:6][CH2:8][S:27][CH3:3])[C:13](=[N:22][C@@H:11]([CH2:5][CH2:4][CH2:7][NH:20][C:16](=[NH:18])[NH2:19])[C:15](=[O:25])[OH:26])[OH:23])[OH:24])[NH2:17]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0