Structure Information
Structure

Compound Identification

SMILES

OC1=C(N2[C@H](SC1)[C@@H](NC(=O)CC1=CC=CC=C1)C2=O)C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=AJAYYHYWTPEASL-GHTZIAJQSA-N

Formula

C22H19N3O7S

Mass

469.47

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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 - Phenylacetamide - Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous acid - Azetidine - Secondary carboxylic acid amide - Organic nitro compound - C-nitro compound - Carboxamide group - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Dialkylthioether - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hemithioaminal - Thioether - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Organic salt - Organonitrogen compound - Organooxygen 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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