Structure Information
Structure

Compound Identification

SMILES

OCCC#CC1=C(N2[C@H](SC1)[C@H](NC=O)C2=O)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=PZKHTYTVSYUKMJ-HYBUGGRVSA-N

Formula

C25H22N2O5S

Mass

462.52

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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

Diphenylmethanes N-formyl-alpha amino acids Benzyloxycarbonyls 1,3-thiazines Tertiary carboxylic acid amides Enoate esters Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Primary alcohols

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - Diphenylmethane - N-formyl-alpha-amino acid - N-formyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Monocarboxylic acid or derivatives - Dialkylthioether - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - 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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