bimane N-acetyl-L-cysteinyl conjugate

Properties Image MNX_ID MNXM16354 reference metacycM:CPD1G-185 formula C15H18N3O5S global charge -1 mol weight 352.392 InChIKey OCWISULNZLQXBL-NSHDSACASA-M InChI InChI=1S/C15H19N3O5S/c1-7-9(3)17-12(8(2)14(21)18(17)13(7)20)6-24-5-11(15(22)23)16-10(4)19/h11H,5-6H2,1-4H3,(H,16,19)(H,22,23)/p-1/t11-/m0/s1 SMILES CC(=O)N[C@@H](CSCC1=C(C)C(=O)N2C(=O)C(C)=C(C)N12)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C15H19N3O5S/c1-7-9(3)17-12(8(2)14(21)18(17)13(7)20)6-24-5-11(15(22)23)16-10(4)19/h11H,5-6H2,1-4H3,(H,16,19)(H,22,23)/t11-/m0/s1 SMILES (mnx) [CH3:1][C:7]1=[C:9]([CH3:3])[N:17]2[C:12]([CH2:6][S:24][CH2:5][C@@H:11]([C:15](=[O:22])[OH:23])[N:16]=[C:10]([CH3:4])[OH:19])=[C:8]([CH3:2])[C:14](=[O:21])[N:18]2[C:13]1=[O:20]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0