Structure Information
Structure

Compound Identification

SMILES

O=C(CC1=CC=CC=C1)N[C@H]1[C@H]2SCC(C3=CN=C(SC4=CC=CC=C4)S3)=C(N2C1=O)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=NKLWUHRXAIUSDP-CYEXUTLASA-N

Formula

C37H29N3O4S3

Mass

675.84

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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 - Diphenylmethane - Diarylthioether - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Phenylacetamide - Aryl thioether - Thiophenol ether - 2,5-disubstituted 1,3-thiazole - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Thiazole - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Thioether - Monocarboxylic acid or derivatives - Hemithioaminal - Sulfenyl compound - Carboxylic acid derivative - Dialkylthioether - Azacycle - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - 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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