Penicilloic acid

Properties Image MNX_ID MNXM727599 reference keggC:C06567 formula C8H13N2O4S* global charge 0 mol weight   InChIKey   InChI   SMILES [*]N[C@H](C(=O)O)[C@@H]1N[C@@H](C(=O)O)C(C)(C)S1 MNX internals InChI (mnx) InChI=1/C9H16N2O4S/c1-9(2)5(8(14)15)11-6(16-9)4(10-3)7(12)13/h4-6,10-11H,1-3H3,(H,12,13)(H,14,15)/t4-,5-,6+/m0/s1/i3+1 SMILES (mnx) [CH3:1][C:9]1([CH3:2])[C@H:5]([C:8](=[O:14])[OH:15])[NH:11][C@@H:6]([C@@H:4]([C:7](=[O:12])[OH:13])[NH:10][13CH3:3])[S:16]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0