Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)CSC3=CC=C(O)C=C3)C(=O)N12)\C=C1/CCN(CC2=CC=[N+](CC(=O)NC3=CC(F)=C(O)C=C3)C=C2)C1=O

InChIKey

InChIKey=KWASARUEOVYEKJ-RKZZPURESA-O

Formula

C34H31FN5O8S2

Mass

720.77

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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 Anilides Thiophenol ethers N-arylamides O-fluorophenols 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers Fluorobenzenes 1,3-thiazines Aryl fluorides Pyrrolidine-2-ones N-alkylpyrrolidines Pyridinium derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Sulfenyl compounds Thiohemiaminal derivatives Hydrocarbon derivatives Carbonyl compounds Organofluorides Organic oxides Organic cations

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Anilide - Aryl thioether - 2-halophenol - 2-fluorophenol - Thiophenol ether - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Alkylarylthioether - Phenol - Meta-thiazine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Pyridinium - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrrolidine - Azetidine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Sulfenyl compound - Hemithioaminal - Thioether - Dialkylthioether - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen 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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