Structure Information
Structure

Compound Identification

SMILES

CCO\N=C(/C(=O)NC1(C=S)[C@@H]2SCC(C3=NC(N)=CC(N)N3C)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1

InChIKey

InChIKey=MGPILRKMWRHFOY-IYNMRZCXSA-N

Formula

C20H23N9O5S3

Mass

565.64

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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 Aminopyrimidines and derivatives 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles Hydropyrimidines Imidolactams 1,3-thiazines Heteroaromatic compounds Tertiary carboxylic acid amides Ketene acetals Azetidines Amino acids Secondary carboxylic acid amides Thioaldehydes Monocarboxylic acids and derivatives Azacyclic compounds Thiohemiaminal derivatives Dialkylthioethers Carboxylic acids Carboximidamides Carboxamidines Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary amines

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 - Aminopyrimidine - Meta-thiazine - 1,3-thiazol-2-amine - Imidolactam - 1,6-dihydropyrimidine - Hydropyrimidine - Tertiary carboxylic acid amide - Thiazole - Heteroaromatic compound - Azole - Carboxamide group - Ketene acetal or derivatives - Azetidine - Amino acid or derivatives - Amino acid - Secondary carboxylic acid amide - Amidine - Azacycle - Dialkylthioether - Organic 1,3-dipolar compound - Carboxylic acid amidine - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Carboximidamide - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Thioaldehyde - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Thiocarbonyl group - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur 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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