allylmercaptomethylpenicilloyl group

Properties Image MNX_ID MNXM40870 reference chebi:63404 formula C13H19N2O4S2* global charge 0 mol weight   InChIKey   InChI   SMILES [*]C(=O)[C@@H](NC(=O)CSCC=C)[C@@H]1N[C@@H](C(=O)O)C(C)(C)S1 MNX internals InChI (mnx) InChI=1/C14H22N2O4S2/c1-5-6-21-7-9(18)15-10(8(2)17)12-16-11(13(19)20)14(3,4)22-12/h5,10-12,16H,1,6-7H2,2-4H3,(H,15,18)(H,19,20)/t10-,11+,12-/m1/s1/i2+1 SMILES (mnx) [CH2:1]=[CH:5][CH2:6][S:21][CH2:7][C:9](=[N:15][C@H:10]([C:8]([13CH3:2])=[O:17])[C@@H:12]1[NH:16][C@@H:11]([C:13](=[O:19])[OH:20])[C:14]([CH3:3])([CH3:4])[S:22]1)[OH:18]

Parent-child relations graph

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