Structure Information
Structure

Compound Identification

SMILES

CC1=NN=C(SCC2=C(N3[C@@H](SC2)[C@H](NC(=O)CN2N=C(C)C(Br)=C2C)C3=O)C(O)=O)S1

InChIKey

InChIKey=FAJXDHVELXZOSA-CJNGLKHVSA-N

Formula

C18H19BrN6O4S3

Mass

559.47

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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 - Aryl thioether - Alkylarylthioether - Meta-thiazine - Aryl bromide - Aryl halide - Heteroaromatic compound - Azole - Thiadiazole - Tertiary carboxylic acid amide - Pyrazole - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Dialkylthioether - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Hemithioaminal - Monocarboxylic acid or derivatives - Thioether - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur 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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