Structure Information
Structure

Compound Identification

SMILES

NC1=NC(=CS1)C(=N\OC(SCC(F)F)C(O)=O)\C(=O)NC1C2SCC(CSC3=C(C(O)=O)C(=O)NS3)=C(N2C1=O)C(O)=O

InChIKey

InChIKey=DTOMQBZNNPMJDZ-WPDGFUPNSA-N

Formula

C21H18F2N6O10S5

Mass

712.7

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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 Thiazolecarboxylic acids and derivatives 2,4-disubstituted thiazoles Alkylarylthioethers Vinylogous thioesters 1,3-thiazines 2-amino-1,3-thiazoles Dicarboxylic acids and derivatives Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Sulfenyl compounds Carbonyl compounds Primary amines Alkyl fluorides Organofluorides Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Meta-thiazine - Dicarboxylic acid or derivatives - 1,3-thiazol-2-amine - Vinylogous thioester - Heteroaromatic compound - Vinylogous amide - Azole - Tertiary carboxylic acid amide - Thiazole - Amino acid - Amino acid or derivatives - Carboxamide group - Azetidine - Secondary carboxylic acid amide - Dialkylthioether - Azacycle - Carboxylic acid - Carboxylic acid derivative - Sulfenyl compound - Hemithioaminal - Thioether - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Alkyl halide - Alkyl fluoride - Organic oxygen 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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