Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(COC(=O)C2=C(CS[C@@H]3[C@H](NC(=O)CC4=CC=C(CSC(N)=N)C=C4)C(=O)N23)SC2=CC=CC=C2CCl)C=C1

InChIKey

InChIKey=UXGIMKRFNPNLFZ-POURPWNDSA-N

Formula

C32H31ClN4O5S3

Mass

683.25

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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

N-acyl-alpha amino acids and derivatives Benzyloxycarbonyls Phenylacetamides Anisoles Aryl thioethers Benzyl chlorides Methoxybenzenes Phenoxy compounds Alkyl aryl ethers 1,3-thiazines Vinylogous thioesters Tertiary carboxylic acid amides Enoate esters Secondary carboxylic acid amides Thioenol ethers Isothioureas Azetidines Sulfenyl compounds Thiohemiaminal derivatives Monocarboxylic acids and derivatives Azacyclic compounds Carboximidamides Dialkylthioethers Imines Alkyl chlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Phenylacetamide - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Benzyl halide - Benzyl chloride - Alkyl aryl ether - Meta-thiazine - Vinylogous thioester - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxamide group - Carboxylic acid ester - Isothiourea - Thioenolether - Azetidine - Secondary carboxylic acid amide - Azacycle - Dialkylthioether - Sulfenyl compound - Carboximidamide - Carboxylic acid derivative - Hemithioaminal - Thioether - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Alkyl halide - Carbonyl group - Alkyl chloride - Organic nitrogen compound - Imine - Organosulfur compound - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - 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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