benzylpenicillin potassium

Properties Image MNX_ID MNXM152624 reference chebi:7963 formula C16H17KN2O4S global charge 0 mol weight 372.487 InChIKey IYNDLOXRXUOGIU-LQDWTQKMSA-M InChI InChI=1S/C16H18N2O4S.K/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1/t11-,12+,14-;/m1./s1 SMILES CC1(C)S[C@@H]2[C@H](NC(=O)CC3=CC=CC=C3)C(=O)N2[C@H]1C(=O)[O-].[K+] MNX internals InChI (mnx) InChI=1/C16H18N2O4S.K/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/t11-,12+,14-;/m1./s1 SMILES (mnx) [CH3:1][C:16]1([CH3:2])[C@H:12]([C:15](=[O:21])[OH:22])[N:18]2[C:13](=[O:20])[C@@H:11]([N:17]=[C:10]([CH2:8][C:9]3=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]3)[OH:19])[C@H:14]2[S:23]1.[K+:24]

Parent-child relations graph

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