Ala-Met-Glu

Properties Image MNX_ID MNXM1120988 reference chebi:158375 formula C13H23N3O6S global charge 0 mol weight 349.409 InChIKey DWYROCSXOOMOEU-CIUDSAMLSA-N InChI InChI=1S/C13H23N3O6S/c1-7(14)11(19)15-8(5-6-23-2)12(20)16-9(13(21)22)3-4-10(17)18/h7-9H,3-6,14H2,1-2H3,(H,15,19)(H,16,20)(H,17,18)(H,21,22)/t7-,8-,9-/m0/s1 SMILES CSCC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C13H23N3O6S/c1-7(14)11(19)15-8(5-6-23-2)12(20)16-9(13(21)22)3-4-10(17)18/h7-9H,3-6,14H2,1-2H3,(H,15,19)(H,16,20)(H,17,18)(H,21,22)/t7-,8-,9-/m0/s1 SMILES (mnx) [CH3:1][C@@H:7]([C:11](=[N:15][C@@H:8]([CH2:5][CH2:6][S:23][CH3:2])[C:12](=[N:16][C@@H:9]([CH2:3][CH2:4][C:10](=[O:17])[OH:18])[C:13](=[O:21])[OH:22])[OH:20])[OH:19])[NH2:14]

Parent-child relations graph

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