sulbactam

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sulbactam

GtoPdb Ligand ID: 10769

Synonyms: Betamaze | CP-45,899 | CP-45899

sulbactam is an approved drug (FDA (1986))

Comment: Sulbactam is a β-lactamase inhibitor that is used to limit degradation of β-lactam antibacterials. Its synergy with β-lactam antibacterials against some multiply drug-resistant Enterobacteriaceae and Pseudomonas species is reported to be inconsistent, likely as it cannot inhibit the AmpC cephalosporinase expressed by these species [1].

sulbactam is commercially available from our sponsors

2D Structure

Physico-chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	1
Rotatable bonds	1
Topological polar surface area	100.13
Molecular weight	233.04
XLogP	-1.13
No. Lipinski's rules broken	0

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

SMILES / InChI / InChIKey

Canonical SMILES	OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C
Isomeric SMILES	OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C
InChI	InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1
InChI Key	FKENQMMABCRJMK-RITPCOANSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)