latamoxef

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Ligands
latamoxef

GtoPdb Ligand ID: 12031

Synonyms: 6059-S | LY127935 | moxalactam | Moxam®

latamoxef is an approved drug (FDA (1981))

Compound class: Synthetic organic

Comment: Latamoxef is an oxacephem molecule developed by the Shionogi Research Laboratories (Osaka, Japan) [3]. It belongs to the β-lactam class of antibacterial compounds.

2D Structure

Physico-chemical Properties

Hydrogen bond acceptors	13
Hydrogen bond donors	4
Rotatable bonds	10
Topological polar surface area	231.6
Molecular weight	520.1
XLogP	0.3
No. Lipinski's rules broken	1

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	CO[C@@]1(NC(=O)C(c2ccc(cc2)O)C(=O)O)C(=O)N2[C@@H]1OCC(=C2C(=O)O)CSc1nnnn1C
Isomeric SMILES	Cn1c(nnn1)SCC1=C(N2[C@@H]([C@@](C2=O)(NC(=O)C(c2ccc(cc2)O)C(=O)O)OC)OC1)C(=O)O
InChI	InChI=1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/t12?,18-,20+/m1/s1
InChI Key	JWCSIUVGFCSJCK-CAVRMKNVSA-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/)