Met-Val-Phe

Properties Image MNX_ID MNXM1123827 reference chebi:161229 formula C19H29N3O4S global charge 0 mol weight 395.525 InChIKey JACMWNXOOUYXCD-JYJNAYRXSA-N InChI InChI=1S/C19H29N3O4S/c1-12(2)16(22-17(23)14(20)9-10-27-3)18(24)21-15(19(25)26)11-13-7-5-4-6-8-13/h4-8,12,14-16H,9-11,20H2,1-3H3,(H,21,24)(H,22,23)(H,25,26)/t14-,15-,16-/m0/s1 SMILES CSCC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)C(C)C MNX internals InChI (mnx) InChI=1/C19H29N3O4S/c1-12(2)16(22-17(23)14(20)9-10-27-3)18(24)21-15(19(25)26)11-13-7-5-4-6-8-13/h4-8,12,14-16H,9-11,20H2,1-3H3,(H,21,24)(H,22,23)(H,25,26)/t14-,15-,16-/m0/s1 SMILES (mnx) [CH3:1][CH:12]([CH3:2])[C@@H:16]([C:18](=[N:21][C@@H:15]([CH2:11][C:13]1=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]1)[C:19](=[O:25])[OH:26])[OH:24])[N:22]=[C:17]([C@H:14]([CH2:9][CH2:10][S:27][CH3:3])[NH2:20])[OH:23]

Parent-child relations graph

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