Asp-Cys-Gln

Properties Image MNX_ID MNXM1123048 reference chebi:160447 formula C12H20N4O7S global charge 0 mol weight 364.38 InChIKey APYNREQHZOGYHV-ACZMJKKPSA-N InChI InChI=1S/C12H20N4O7S/c13-5(3-9(18)19)10(20)16-7(4-24)11(21)15-6(12(22)23)1-2-8(14)17/h5-7,24H,1-4,13H2,(H2,14,17)(H,15,21)(H,16,20)(H,18,19)(H,22,23)/t5-,6-,7-/m0/s1 SMILES NC(=O)CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C12H20N4O7S/c13-5(3-9(18)19)10(20)16-7(4-24)11(21)15-6(12(22)23)1-2-8(14)17/h5-7,24H,1-4,13H2,(H2,14,17)(H,15,21)(H,16,20)(H,18,19)(H,22,23)/t5-,6-,7-/m0/s1 SMILES (mnx) [CH2:1]([CH2:2][C:8](=[NH:14])[OH:17])[C@@H:6]([C:12](=[O:22])[OH:23])[N:15]=[C:11]([C@H:7]([CH2:4][SH:24])[N:16]=[C:10]([C@H:5]([CH2:3][C:9](=[O:18])[OH:19])[NH2:13])[OH:20])[OH:21]

Parent-child relations graph

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