Structure Information
Structure

Compound Identification

SMILES

CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSC3=CC(C)=NC4=CN(N)NN34)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1

InChIKey

InChIKey=QHAJHCKOXPPIKR-DWVKKRMSSA-N

Formula

C20H22N10O5S3

Mass

578.64

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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

N-acyl-alpha amino acids and derivatives Triazolopyrimidines 2,4-disubstituted thiazoles 1,3-thiazines 2-amino-1,3-thiazoles Hydropyrimidines Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Ketimines Ketene acetals Thiohemiaminal derivatives Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Primary amines Organic oxides Carbonyl compounds Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Triazolopyrimidine - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - Pyrimidine - 1,2-dihydropyrimidine - 1,3-thiazol-2-amine - Hydropyrimidine - Tertiary carboxylic acid amide - Thiazole - Heteroaromatic compound - Triazole - Azole - Ketene acetal or derivatives - Ketimine - Amino acid or derivatives - Secondary carboxylic acid amide - Azetidine - Amino acid - Carboxamide group - Azacycle - Dialkylthioether - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Imine - Carbonyl group - Primary amine - Organic oxide - Organosulfur compound - Organonitrogen compound - Organooxygen 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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