Structure Information
Structure

Compound Identification

SMILES

CC(=O)OCC1=C(N2C(SC1)C(NC(=O)CN1N=C(C)C(Br)=C1C)C2=O)C(O)=O

InChIKey

InChIKey=MXRRTBVWHFTHHM-UHFFFAOYSA-N

Formula

C17H19BrN4O6S

Mass

487.33

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Lactams

Subclass

Beta lactams

Intermediate Tree Nodes

Cephems - Cephalosporins

Direct Parent

Cephalosporin 3'-esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin 3'-ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Meta-thiazine - Aryl bromide - Aryl halide - Dicarboxylic acid or derivatives - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Pyrazole - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Azacycle - Dialkylthioether - Carboxylic acid derivative - Hemithioaminal - Carboxylic acid - Thioether - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cephalosporin 3'-esters. These are cephalosporins that are esterified at the 3'-position.

External Descriptors

Not available

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