S-(2-Chloro-4-nitrophenyl)glutathione

Properties Image MNX_ID MNXM169030 reference sabiorkM:28042 formula C16H19ClN4O8S global charge 0 mol weight 462.868 InChIKey OSGIWCVVJPJIHM-QWRGUYRKSA-N InChI InChI=1S/C16H19ClN4O8S/c17-9-5-8(21(28)29)1-3-12(9)30-7-11(19)15(25)20(6-14(23)24)13(22)4-2-10(18)16(26)27/h1,3,5,10-11H,2,4,6-7,18-19H2,(H,23,24)(H,26,27)/t10-,11-/m0/s1 SMILES N[C@@H](CCC(=O)N(CC(=O)O)C(=O)[C@@H](N)CSC1=C(Cl)C=C([N+](=O)[O-])C=C1)C(=O)O MNX internals InChI (mnx) InChI=1/C16H19ClN4O8S/c17-9-5-8(21(28)29)1-3-12(9)30-7-11(19)15(25)20(6-14(23)24)13(22)4-2-10(18)16(26)27/h1,3,5,10-11H,2,4,6-7,18-19H2,(H,23,24)(H,26,27)/t10-,11-/m0/s1 SMILES (mnx) [CH:1]1=[CH:3][C:12]([S:30][CH2:7][C@@H:11]([C:15]([N:20]([CH2:6][C:14](=[O:23])[OH:24])[C:13]([CH2:4][CH2:2][C@@H:10]([C:16](=[O:26])[OH:27])[NH2:18])=[O:22])=[O:25])[NH2:19])=[C:9]([Cl:17])[CH:5]=[C:8]1[N+:21]([O-:28])=[O:29]

Parent-child relations graph

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