Val-Asp-Cys

Properties Image MNX_ID MNXM1128078 reference chebi:166117 formula C12H21N3O6S global charge 0 mol weight 335.382 InChIKey KXUKIBHIVRYOIP-ZKWXMUAHSA-N InChI InChI=1S/C12H21N3O6S/c1-5(2)9(13)11(19)14-6(3-8(16)17)10(18)15-7(4-22)12(20)21/h5-7,9,22H,3-4,13H2,1-2H3,(H,14,19)(H,15,18)(H,16,17)(H,20,21)/t6-,7-,9-/m0/s1 SMILES CC(C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)O MNX internals InChI (mnx) InChI=1/C12H21N3O6S/c1-5(2)9(13)11(19)14-6(3-8(16)17)10(18)15-7(4-22)12(20)21/h5-7,9,22H,3-4,13H2,1-2H3,(H,14,19)(H,15,18)(H,16,17)(H,20,21)/t6-,7-,9-/m0/s1 SMILES (mnx) [CH3:1][CH:5]([CH3:2])[C@@H:9]([C:11](=[N:14][C@@H:6]([CH2:3][C:8](=[O:16])[OH:17])[C:10](=[N:15][C@@H:7]([CH2:4][SH:22])[C:12](=[O:20])[OH:21])[OH:18])[OH:19])[NH2:13]

Parent-child relations graph

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