Structure Information
Structure

Compound Identification

SMILES

CNCCCN1C=[N+](CC2=C(N3C(SC2)C(NC(=O)C(=N/OCCF)\C2=NSC(NC(=O)OC(C)(C)C)=N2)C3=O)C(=O)OCC2=CC=C(OC)C=C2)C2=C1C=CC=N2

InChIKey

InChIKey=VRCMKSQQAQVHMR-QYXXIVTCSA-O

Formula

C37H44FN10O8S2

Mass

839.94

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