Structure Information
Structure

Compound Identification

SMILES

CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C1=CC3=C(OCO3)C=C1)C2=O)C(O)=O

InChIKey

InChIKey=APIJQNGYGVYKQR-XHBSWPGZSA-N

Formula

C17H17N3O6S

Mass

391.4

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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 - Benzodioxole - Aralkylamine - Meta-thiazine - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Amino acid - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Acetal - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Amine - Organic oxide - Primary aliphatic amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Organic nitrogen 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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