PENICILLANIC ACID

Penicillanic Acid A building block of penicillin, devoid of significant antibacterial activity. (From Merck Index, 11th ed)

Molecular Formula: C₈H₁₁NO₃S

InChI: InChI=1/C8H11NO3S/c1-8(2)6(7(11)12)9-4(10)3-5(9)13-8/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1/f/h11H

InChIKey: InChIKey=RBKMMJSQKNKNEV-XUSGLBLMDY
SMILES: CC1(C(N2C(S1)CC2=O)C(=O)O)C

Names:
    EINECS 201-750-3
    PENICILLANIC ACID
    (2R,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
    (2S-cis)-3,3-Dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
    4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, (2S-cis)-
    87-53-6

Registries:
    PubChem CID 6891
    PubChem ID 149895