Structure Information
Structure

Compound Identification

SMILES

CCO\N=C(/C(=O)NC1[C@H]2SCC(CSC3=[N+](C)C=C(C(O)=O)C(N)=N3)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1

InChIKey

InChIKey=YSHBYNMBFORIFE-ICRPIOGQSA-N

Formula

C21H22N8O7S3

Mass

594.64

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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 - Alpha-amino acid or derivatives - Pyrimidine-5-carboxylic acid - Pyrimidine-5-carboxylic acid or derivatives - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Aminopyrimidine - Alkylarylthioether - Meta-thiazine - 1,3-thiazol-2-amine - Pyrimidine - Imidolactam - Azole - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Vinylogous amide - Carboxylic acid salt - Carboxamide group - Secondary carboxylic acid amide - Azetidine - Amino acid or derivatives - Amino acid - Azacycle - Dialkylthioether - Carboxylic acid derivative - Sulfenyl compound - Carboxylic acid - Hemithioaminal - Monocarboxylic acid or derivatives - Thioether - Amine - Organic oxide - Organic zwitterion - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - 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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