Structure Information
Structure

Compound Identification

SMILES

CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[N+]3=CC=C(C=C3)C3=CN=CO3)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1

InChIKey

InChIKey=IWIVCNVLSKNJJS-VLMZJYNESA-O

Formula

C22H20N7O6S2

Mass

542.56

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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 - Pyridine - Pyridinium - 1,3-thiazol-2-amine - Tertiary carboxylic acid amide - Thiazole - Oxazole - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Amino acid - Azetidine - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Amine - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Primary amine - Organic cation - 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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