Structure Information
Structure

Compound Identification

SMILES

COCO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CN3C=C(NC(=O)CNC(=O)OC(C)(C)C)[N+]4=C3C=CC=N4)=C(N2C1=O)C([O-])=O)C1=NSC(N)=N1

InChIKey

InChIKey=ZQJXMHYAWSHZHS-FYGBIQFKSA-N

Formula

C27H31N11O9S2

Mass

717.73

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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 amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - N-arylamide - Meta-thiazine - N-substituted imidazole - Pyridazine - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiadiazole - Imidazole - Carbamic acid ester - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Amino acid - Amino acid or derivatives - Azetidine - Carboxylic acid derivative - Thioether - Monocarboxylic acid or derivatives - Hemithioaminal - Dialkylthioether - Carboxylic acid - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Organic zwitterion - Organic salt - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen 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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