carindacillin sodium

Properties Image MNX_ID MNXM120281 reference chebi:31358 formula C26H25N2NaO6S global charge 0 mol weight 516.551 InChIKey QFWPXOXWAUAYAB-XZVIDJSISA-M InChI InChI=1S/C26H26N2O6S.Na/c1-26(2)20(24(31)32)28-22(30)19(23(28)35-26)27-21(29)18(15-7-4-3-5-8-15)25(33)34-17-12-11-14-9-6-10-16(14)13-17;/h3-5,7-8,11-13,18-20,23H,6,9-10H2,1-2H3,(H,27,29)(H,31,32);/q;+1/p-1/t18?,19-,20+,23-;/m1./s1 SMILES CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)OC3=CC=C4CCCC4=C3)C3=CC=CC=C3)C(=O)N2[C@H]1C(=O)[O-].[Na+] MNX internals InChI (mnx) InChI=1/C26H26N2O6S.Na/c1-26(2)20(24(31)32)28-22(30)19(23(28)35-26)27-21(29)18(15-7-4-3-5-8-15)25(33)34-17-12-11-14-9-6-10-16(14)13-17;/h3-5,7-8,11-13,18-20,23H,6,9-10H2,1-2H3,(H,27,29)(H,31,32);/q;+1/t18?,19-,20+,23-;/m1./s1 SMILES (mnx) [CH3:1][C:26]1([CH3:2])[C@H:20]([C:24](=[O:31])[OH:32])[N:28]2[C:22](=[O:30])[C@@H:19]([N:27]=[C:21]([CH:18]([C:15]3=[CH:7][CH:4]=[CH:3][CH:5]=[CH:8]3)[C:25](=[O:33])[O:34][C:17]3=[CH:12][CH:11]=[C:14]4[CH2:9][CH2:6][CH2:10][C:16]4=[CH:13]3)[OH:29])[C@H:23]2[S:35]1.[Na+:36]

Parent-child relations graph

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