biapenem

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Ligands
biapenem

GtoPdb Ligand ID: 12022

Synonyms: L-627 | LJC10,627 | Omegacin® | RPX2003

biapenem is an approved drug

Compound class: Synthetic organic

Comment: Biapenem is a β-lactam (carbapenem), with broad-spectrum antibacterial activity [2,4].

biapenem is commercially available from our sponsors

2D Structure

Physico-chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	1
Rotatable bonds	4
Topological polar surface area	127.67
Molecular weight	350.1
XLogP	-1.69
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	C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)[O-])SC1C[n+]2n(C1)cnc2)O
Isomeric SMILES	C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC1Cn2cnc[n+]2C1)C(=O)[O-])[C@@H](C)O
InChI	InChI=1S/C15H18N4O4S/c1-7-11-10(8(2)20)14(21)19(11)12(15(22)23)13(7)24-9-3-17-5-16-6-18(17)4-9/h5-11,20H,3-4H2,1-2H3/t7-,8-,10-,11-/m1/s1
InChI Key	MRMBZHPJVKCOMA-YJFSRANCSA-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/)