Structure Information
Structure

Compound Identification

SMILES

CCNCC1=C(N2[C@@H](SC1)[C@H](NC(=O)C(=N/OCCCl)\C1=CSC(N)=N1)C2=O)C(O)=O

InChIKey

InChIKey=URVBATHVOGLKJI-ZBRJVVTESA-N

Formula

C17H21ClN6O5S2

Mass

488.96

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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 - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - 1,3-thiazol-2-amine - Heteroaromatic compound - Azole - Thiazole - Tertiary carboxylic acid amide - Amino acid - Amino acid or derivatives - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Dialkylthioether - Hemithioaminal - Carboxylic acid derivative - Carboxylic acid - Thioether - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organic oxide - Alkyl halide - Alkyl chloride - Carbonyl group - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - 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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