Structure Information
Structure

Compound Identification

SMILES

CC1=CC(SCC2=C(N3[C@H](SC2)C(NC(=O)CSC2=C(Cl)C=CC(=C2)C(F)(F)F)C3=O)C(O)=O)=CC(C)=[N+]1CCC[C@H](N)C(O)=O

InChIKey

InChIKey=GPRHSVPYTHWYCV-CCLKQRNJSA-O

Formula

C29H31ClF3N4O6S3

Mass

720.21

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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 - L-alpha-amino acid - Alpha-amino acid - Trifluoromethylbenzene - Alpha-amino acid or derivatives - Thiophenol ether - Aryl thioether - Alkylarylthioether - Chlorobenzene - Halobenzene - Methylpyridine - Pyridine - Aryl chloride - Aryl halide - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Pyridinium - Meta-thiazine - Heteroaromatic compound - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Azetidine - Amino acid or derivatives - Amino acid - Azacycle - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Carboxylic acid derivative - Carboxylic acid - Thioether - Organofluoride - Organochloride - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Primary aliphatic amine - Organonitrogen compound - Organohalogen compound - 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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