Structure Information
Structure

Compound Identification

SMILES

CNCC(=O)C1=CC=CC=C1C(O)C(=O)NC1[C@@H]2SCC(CSC3=NN=C(C)S3)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C

InChIKey

InChIKey=VMKIDFFFMXRNQY-HQOBLLPJSA-N

Formula

C28H33N5O8S3

Mass

663.78

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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

Alkyl-phenylketones N-acyl-alpha amino acids and derivatives Phenylacetamides Aryl alkyl ketones Benzoyl derivatives Acylals Alkylarylthioethers 1,3-thiazines Dicarboxylic acids and derivatives Thiadiazoles Heteroaromatic compounds Enoate esters Tertiary carboxylic acid amides Alpha-amino ketones Secondary alcohols Azetidines Secondary carboxylic acid amides Thiohemiaminal derivatives Acetals Dialkylthioethers Sulfenyl compounds Azacyclic compounds Dialkylamines Organopnictogen compounds Aromatic alcohols Aldehydes Hydrocarbon derivatives Organic oxides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alkyl-phenylketone - Alpha-amino acid or derivatives - Phenylacetamide - Phenylketone - Aryl thioether - Benzoyl - Aryl ketone - Aryl alkyl ketone - Acylal - Alkylarylthioether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Meta-thiazine - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Alpha-aminoketone - Azole - Tertiary carboxylic acid amide - Thiadiazole - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Ketone - Secondary alcohol - Azetidine - Amino acid or derivatives - Acetal - Azacycle - Dialkylthioether - Sulfenyl compound - Carboxylic acid derivative - Hemithioaminal - Thioether - Secondary aliphatic amine - Secondary amine - Carbonyl group - Aldehyde - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Aromatic alcohol - Organic oxygen compound - Organopnictogen compound - Amine - Organic oxide - Organosulfur compound - Organooxygen compound - 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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