N-acetyl-S-[2-carboxy-1-(1 H-imidazol-4-yl)ethyl]-L-cysteine

Properties Image MNX_ID MNXM168488 reference biggM:CE2088 formula C11H13N3O5S global charge -2 mol weight 299.308 InChIKey ODJTWSKDMRCRTN-VEDVMXKPSA-L InChI InChI=1S/C11H15N3O5S/c1-6(15)14-8(11(18)19)4-20-9(2-10(16)17)7-3-12-5-13-7/h3,5,8-9H,2,4H2,1H3,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/p-2/t8-,9?/m1/s1 SMILES CC([O-])=N[C@H](CSC(CC(=O)[O-])C1=CN=CN1)C(=O)O MNX internals InChI (mnx) InChI=1/C11H15N3O5S/c1-6(15)14-8(11(18)19)4-20-9(2-10(16)17)7-3-12-5-13-7/h3,5,8-9H,2,4H2,1H3,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t8-,9?/m1/s1 SMILES (mnx) [CH3:1][C:6](=[N:14][C@H:8]([CH2:4][S:20][CH:9]([CH2:2][C:10](=[O:16])[OH:17])[C:7]1=[CH:3][N:12]=[CH:5][NH:13]1)[C:11](=[O:18])[OH:19])[OH:15]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 2