Structure Information
Structure

Compound Identification

SMILES

CCO\N=C(/C(=O)NC1C2SCC(C[N+]3=CC=CC4=C3N=CN4CC3CNC3)=C(N2C1=O)C(=O)OCC1=CC=C(OC)C=C1)C1=NSC(NC(=O)OC(C)(C)C)=N1

InChIKey

InChIKey=JXLFTFSAHJJSEW-SJUSNGENSA-O

Formula

C37H43N10O8S2

Mass

819.93

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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 Benzyloxycarbonyls Imidazopyridines Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers 1,3-thiazines Pyridinium derivatives N-substituted imidazoles Thiadiazoles Tertiary carboxylic acid amides Carbamate esters Enoate esters Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Azacyclic compounds Dialkylthioethers Dialkylamines Thiohemiaminal derivatives Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Imidazopyridine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Meta-thiazine - N-substituted imidazole - Monocyclic benzene moiety - Benzenoid - Pyridine - Pyridinium - Thiadiazole - Tertiary carboxylic acid amide - Imidazole - Carbamic acid ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Azole - Heteroaromatic compound - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Secondary amine - Monocarboxylic acid or derivatives - Azacycle - Dialkylthioether - Carboxylic acid derivative - Hemithioaminal - Secondary aliphatic amine - Ether - Thioether - Organooxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - 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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