Catalog Number:
AG00I5LN
Chemical Name:
Penicillin-G 4-methoxybenzyl ester sulfoxide
CAS Number:
30034-13-0
Molecular Formula:
C24H26N2O6S
Molecular Weight:
470.5380
MDL Number:
MFCD08063341
IUPAC Name:
(4-methoxyphenyl)methyl 3,3-dimethyl-4,7-dioxo-6-[(2-phenylacetyl)amino]-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
InChI:
InChI=1S/C24H26N2O6S/c1-24(2)20(23(29)32-14-16-9-11-17(31-3)12-10-16)26-21(28)19(22(26)33(24)30)25-18(27)13-15-7-5-4-6-8-15/h4-12,19-20,22H,13-14H2,1-3H3,(H,25,27)
InChI Key:
HSSBYPUKMZQQKS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)COC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2[S@@](=O)C1(C)C)NC(=O)Cc1ccccc1
