Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(COC(=O)C2=C(CCl)CS[C@@H]3[C@H](NC(=O)C(=N/O[C@@H](C(O)=O)C4=CC(O)=C(O)C=C4)\C4=CSC(N)=N4)C(=O)N23)C=C1

InChIKey

InChIKey=QEQKGHJGTFAYGX-IVHUBMAGSA-N

Formula

C29H26ClN5O10S2

Mass

704.12

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Lactams

Subclass

Beta lactams

Intermediate Tree Nodes

Cephems

Direct Parent

Cephalosporins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Benzyloxycarbonyl - Alpha-amino acid or derivatives - Phenol ether - Catechol - Anisole - Methoxybenzene - Phenoxy compound - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - 1,3-thiazol-2-amine - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Azole - Thiazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Azetidine - Amino acid - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Dialkylthioether - Hemithioaminal - Thioether - Carboxylic acid derivative - Carboxylic acid - Ether - Organooxygen compound - Primary amine - Alkyl chloride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Alkyl halide - Organochloride - Hydrocarbon derivative - Organohalogen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof.

External Descriptors

Not available

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