Structure Information
Structure

Compound Identification

SMILES

CN[N+]1=CC=C(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(=N/O[C@H](C(O)=O)C2=CC=C(O)C=C2)\C2=CSC(N)=N2)C3=O)C([O-])=O)C=C1

InChIKey

InChIKey=VPDVQBTVNPNHSN-YBTPFZTGSA-N

Formula

C27H25N7O8S3

Mass

671.72

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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 - 2,4-disubstituted 1,3-thiazole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkylarylthioether - Meta-thiazine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Pyridine - Pyridinium - Benzenoid - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Carboxylic acid salt - Amino acid - Carboxamide group - Azetidine - Amino acid or derivatives - Secondary carboxylic acid amide - Dialkylthioether - Hemithioaminal - Carboxylic acid - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Thioether - Amine - Organic oxide - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic zwitterion - Organosulfur compound - Hydrocarbon derivative - Organic salt - 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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