Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(COC(=O)C2=C(CS[C@@H]3[C@H](NC(=O)CC4=CC=CC=C4)C(=O)N23)SC2=NN=NN2C)C=C1

InChIKey

InChIKey=ICBLWTHJBKJPFQ-NFBKMPQASA-N

Formula

C25H24N6O5S2

Mass

552.62

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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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Benzyloxycarbonyl - Phenylacetamide - Alpha-amino acid or derivatives - Phenol ether - Phenoxy compound - Aryl thioether - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Vinylogous thioester - Meta-thiazine - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Tetrazole - Azetidine - Carboxamide group - Carboxylic acid ester - Thioenolether - Secondary carboxylic acid amide - Thioether - Monocarboxylic acid or derivatives - Ether - Hemithioaminal - Azacycle - Carboxylic acid derivative - Dialkylthioether - Sulfenyl compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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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