Cys-Met-Asp

Properties Image MNX_ID MNXM1124145 reference chebi:161547 formula C12H21N3O6S2 global charge 0 mol weight 367.449 InChIKey LWYKPOCGGTYAIH-FXQIFTODSA-N InChI InChI=1S/C12H21N3O6S2/c1-23-3-2-7(14-10(18)6(13)5-22)11(19)15-8(12(20)21)4-9(16)17/h6-8,22H,2-5,13H2,1H3,(H,14,18)(H,15,19)(H,16,17)(H,20,21)/t6-,7-,8-/m0/s1 SMILES CSCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C12H21N3O6S2/c1-23-3-2-7(14-10(18)6(13)5-22)11(19)15-8(12(20)21)4-9(16)17/h6-8,22H,2-5,13H2,1H3,(H,14,18)(H,15,19)(H,16,17)(H,20,21)/t6-,7-,8-/m0/s1 SMILES (mnx) [CH3:1][S:23][CH2:3][CH2:2][C@@H:7]([C:11](=[N:15][C@@H:8]([CH2:4][C:9](=[O:16])[OH:17])[C:12](=[O:20])[OH:21])[OH:19])[N:14]=[C:10]([C@H:6]([CH2:5][SH:22])[NH2:13])[OH:18]

Parent-child relations graph

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