Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)F.NC(=N)CSCC1=CC=CC=C1SC1=C(N2[C@H](SC1)[C@H](NC(=O)CSCCN=C(N)N)C2=O)C(O)=O

InChIKey

InChIKey=WHOLGAQGHFHRJA-LJLRIERRSA-N

Formula

C23H28F3N7O6S4

Mass

683.76

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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 Aryl thioethers Vinylogous thioesters 1,3-thiazines Benzene and substituted derivatives Alpha-halocarboxylic acids Tertiary carboxylic acid amides Thioenol ethers Azetidines Secondary carboxylic acid amides Guanidines Sulfenyl compounds Dialkylthioethers Carboxylic acids Carboximidamides Carboxamidines Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic oxides Organofluorides

Molecular Framework

Not available

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - Meta-thiazine - Vinylogous thioester - Benzenoid - Monocyclic benzene moiety - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Tertiary carboxylic acid amide - Guanidine - Carboxamide group - Azetidine - Secondary carboxylic acid amide - Thioenolether - Thioether - Hemithioaminal - Amidine - Carboximidamide - Sulfenyl compound - Carboxylic acid amidine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Dialkylthioether - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - 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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