Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=C(CSC2=CC=[N+](CC(=O)N3CCNCC3)C=C2)CS[C@@H]2[C@H](NC(=O)CSC3=C(Cl)C=CC(Cl)=C3)C(=O)N12

InChIKey

InChIKey=BMCOUGOBQLQEMU-ZEQKJWHPSA-O

Formula

C27H28Cl2N5O5S3

Mass

669.63

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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 Aryl chlorides Pyridinium derivatives Piperazines 1,3-thiazines Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Secondary carboxylic acid amides Amino acids Sulfenyl compounds Thiohemiaminal derivatives Dialkylthioethers Dialkylamines Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations

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 - Halobenzene - Chlorobenzene - Alkylarylthioether - Monocyclic benzene moiety - Piperazine - Pyridine - Pyridinium - Meta-thiazine - Aryl chloride - 1,4-diazinane - Benzenoid - Aryl halide - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carboxamide group - Azetidine - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Monocarboxylic acid or derivatives - Thioether - Hemithioaminal - Sulfenyl compound - Secondary aliphatic amine - Dialkylthioether - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Amine - Organic cation - 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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