razupenem

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Ligands
razupenem

GtoPdb Ligand ID: 10851

Synonyms: PZ-601 | SM-216601 | SMP-601

Comment: Razupenem is a penem class antibacterial. It inhibits cell wall synthesis, and is active against Gram-negative and Gram-positive bacteria [1-3].

2D Structure

Physico-chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	3
Rotatable bonds	5
Topological polar surface area	156.3
Molecular weight	407.1
XLogP	0.5
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]1NCC(=C1)c1csc(n1)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C
Isomeric SMILES	C[C@@H]1NCC(=C1)c1csc(n1)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C
InChI	InChI=1S/C18H21N3O4S2/c1-7-4-10(5-19-7)11-6-26-18(20-11)27-15-8(2)13-12(9(3)22)16(23)21(13)14(15)17(24)25/h4,6-9,12-13,19,22H,5H2,1-3H3,(H,24,25)/t7-,8+,9+,12+,13+/m0/s1
InChI Key	XFGOMLIRJYURLQ-GOKYHWASSA-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/)