Structure Information
Structure

Compound Identification

SMILES

[Br-].CNCCCN1C=NC2=C1C=CC=[N+]2CC1=C(N2C(SC1)C(NC(=O)C(=N/OC(C)C)\C1=NSC(NC(=O)OC(C)(C)C)=N1)C2=O)C(=O)OCC1=CC=C(OC)C=C1

InChIKey

InChIKey=AUSJTPCVWZERNM-KIHUTPLESA-N

Formula

C38H47BrN10O8S2

Mass

915.88

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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 Azetidines Secondary carboxylic acid amides Azacyclic compounds Dialkylthioethers Dialkylamines Thiohemiaminal derivatives Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic zwitterions Organic oxides Organic bromide salts

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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