a penicillin

Properties Image MNX_ID MNXM96383 reference chebi:51356 formula C9H10N2O4S* global charge -1 mol weight   InChIKey   InChI   SMILES [*]C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-] MNX internals InChI (mnx) InChI=1/C10H14N2O4S/c1-4(13)11-5-7(14)12-6(9(15)16)10(2,3)17-8(5)12/h5-6,8H,1-3H3,(H,11,13)(H,15,16)/t5-,6+,8-/m1/s1/i1+1 SMILES (mnx) [13CH3:1][C:4](=[N:11][C@@H:5]1[C:7](=[O:14])[N:12]2[C@@H:6]([C:9](=[O:15])[OH:16])[C:10]([CH3:2])([CH3:3])[S:17][C@H:8]12)[OH:13]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 9 in models (compartimentalized) 3