Structure Information
Structure

Compound Identification

SMILES

NC1=CC(SC2=C(N3[C@H](SC2)[C@H](NC(=O)CSC2=C(Cl)C=CC(Cl)=C2)C3=O)C(O)=O)=NC(N)=N1

InChIKey

InChIKey=RETFGNURGTVJRA-RHSMWYFYSA-N

Formula

C19H16Cl2N6O4S3

Mass

559.46

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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 Thiophenol ethers Dichlorobenzenes Alkylarylthioethers Aminopyrimidines and derivatives Vinylogous thioesters 1,3-thiazines Aryl chlorides Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Thioenol ethers Amino acids Secondary carboxylic acid amides Azetidines Dialkylthioethers Carboxylic acids Sulfenyl compounds Azacyclic compounds Thiohemiaminal derivatives Monocarboxylic acids and derivatives Primary amines Carbonyl compounds Organochlorides Hydrocarbon derivatives Organic oxides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - 1,4-dichlorobenzene - Thiophenol ether - Aminopyrimidine - Halobenzene - Chlorobenzene - Alkylarylthioether - Pyrimidine - Meta-thiazine - Imidolactam - Vinylogous thioester - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Azetidine - Carboxamide group - Thioenolether - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Thioether - Hemithioaminal - Sulfenyl compound - Dialkylthioether - Carboxylic acid - Primary amine - Organic oxide - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur 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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