Structure Information
Structure

Compound Identification

SMILES

CC1=C(N2[C@H](SC1)[C@H](NC(=O)C(N)C1=CC=CC=C1)C2=O)C(=O)OCOC(=O)C(C)(C)C

InChIKey

InChIKey=DIGADQKVPFDJSI-PQYJZYHDSA-N

Formula

C22H27N3O6S

Mass

461.53

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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 amide - Alpha-amino acid or derivatives - Phenylacetamide - Aralkylamine - Acylal - Meta-thiazine - Dicarboxylic acid or derivatives - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Tertiary carboxylic acid amide - Enoate ester - Carboxylic acid ester - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Amino acid or derivatives - Thioether - Azacycle - Acetal - Carboxylic acid derivative - Hemithioaminal - Dialkylthioether - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - 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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