5-S-Cysteinylglycine Dopa

Properties Image MNX_ID MNXM744454 reference biggM:5cysgly34dhphe formula C14H19N3O7S global charge 0 mol weight 373.387 InChIKey BEKGUNWQTPPXTG-JAMMHHFISA-N InChI InChI=1S/C14H19N3O7S/c15-7(14(23)24)1-6-2-9(18)12(21)10(3-6)25-5-8(16)13(22)17-4-11(19)20/h2-3,7-8,18,21H,1,4-5,15-16H2,(H,17,22)(H,19,20)(H,23,24)/t7-,8?/m0/s1 SMILES NC(CSC1=C(O)C(O)=CC(C[C@H](N)C(=O)O)=C1)C(=O)NCC(=O)O MNX internals InChI (mnx) InChI=1/C14H19N3O7S/c15-7(14(23)24)1-6-2-9(18)12(21)10(3-6)25-5-8(16)13(22)17-4-11(19)20/h2-3,7-8,18,21H,1,4-5,15-16H2,(H,17,22)(H,19,20)(H,23,24)/t7-,8?/m0/s1 SMILES (mnx) [CH2:1]([C:6]1=[CH:2][C:9]([OH:18])=[C:12]([OH:21])[C:10]([S:25][CH2:5][CH:8]([C:13](=[N:17][CH2:4][C:11](=[O:19])[OH:20])[OH:22])[NH2:16])=[CH:3]1)[C@@H:7]([C:14](=[O:23])[OH:24])[NH2:15]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 3