4-Glutathionyl cyclophosphamide

Properties Image MNX_ID MNXM10187 reference chebi:1831 formula C17H30Cl2N5O8PS global charge 0 mol weight 566.401 InChIKey CXEDBYAXQXFDHD-UHFFFAOYSA-N InChI InChI=1S/C17H30Cl2N5O8PS/c18-4-6-24(7-5-19)33(31)23-14(3-8-32-33)34-10-12(16(28)21-9-15(26)27)22-13(25)2-1-11(20)17(29)30/h11-12,14H,1-10,20H2,(H,21,28)(H,22,25)(H,23,31)(H,26,27)(H,29,30) SMILES NC(CCC(=O)NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(=O)NCC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C17H30Cl2N5O8PS/c18-4-6-24(7-5-19)33(31)23-14(3-8-32-33)34-10-12(16(28)21-9-15(26)27)22-13(25)2-1-11(20)17(29)30/h11-12,14H,1-10,20H2,(H,21,28)(H,22,25)(H,23,31)(H,26,27)(H,29,30)/t11?,12?,14?,33? SMILES (mnx) [CH2:1]([CH2:2][C:13](=[N:22][CH:12]([CH2:10][S:34][CH:14]1[CH2:3][CH2:8][O:32][P:33]([N:24]([CH2:6][CH2:4][Cl:18])[CH2:7][CH2:5][Cl:19])(=[O:31])[NH:23]1)[C:16](=[N:21][CH2:9][C:15](=[O:26])[OH:27])[OH:28])[OH:25])[CH:11]([C:17](=[O:29])[OH:30])[NH2:20]

Parent-child relations graph

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