Phe-Asp-Met

Properties Image MNX_ID MNXM1123976 reference chebi:161378 formula C18H25N3O6S global charge 0 mol weight 411.48 InChIKey IQXOZIDWLZYYAW-IHRRRGAJSA-N InChI InChI=1S/C18H25N3O6S/c1-28-8-7-13(18(26)27)20-17(25)14(10-15(22)23)21-16(24)12(19)9-11-5-3-2-4-6-11/h2-6,12-14H,7-10,19H2,1H3,(H,20,25)(H,21,24)(H,22,23)(H,26,27)/t12-,13-,14-/m0/s1 SMILES CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)O MNX internals InChI (mnx) InChI=1/C18H25N3O6S/c1-28-8-7-13(18(26)27)20-17(25)14(10-15(22)23)21-16(24)12(19)9-11-5-3-2-4-6-11/h2-6,12-14H,7-10,19H2,1H3,(H,20,25)(H,21,24)(H,22,23)(H,26,27)/t12-,13-,14-/m0/s1 SMILES (mnx) [CH3:1][S:28][CH2:8][CH2:7][C@@H:13]([C:18](=[O:26])[OH:27])[N:20]=[C:17]([C@H:14]([CH2:10][C:15](=[O:22])[OH:23])[N:21]=[C:16]([C@H:12]([CH2:9][C:11]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[NH2:19])[OH:24])[OH:25]

Parent-child relations graph

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