Structure Information
Structure

Compound Identification

SMILES

CCO\N=C(/C(=O)NC1C2SCC(C[N+]3=CN(C[C@H](C)N)C4=C3N=CC=C4)=C(N2C1=O)C(=O)OCC1=CC=C(OC)C=C1)C1=NSC(NC(=O)OC(C)(C)C)=N1

InChIKey

InChIKey=VKCQYHKFISJPHH-PTCUJXPJSA-O

Formula

C36H43N10O8S2

Mass

807.92

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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 Pyridines and derivatives N-substituted imidazoles Thiadiazoles Tertiary carboxylic acid amides Carbamate esters Enoate esters Heteroaromatic compounds Azetidines Secondary carboxylic acid amides Azacyclic compounds Dialkylthioethers Thiohemiaminal derivatives Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Monoalkylamines 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 - Methoxybenzene - Anisole - Phenol ether - Alkyl aryl ether - Meta-thiazine - Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Pyridine - Imidazole - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Azole - Carbamic acid ester - Tertiary carboxylic acid amide - Thiadiazole - Amino acid or derivatives - Carboxylic acid ester - Carboxamide group - Azetidine - Secondary carboxylic acid amide - Dialkylthioether - Monocarboxylic acid or derivatives - Ether - Hemithioaminal - Carboxylic acid derivative - Azacycle - Thioether - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - 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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