Structure Information
Structure

Compound Identification

SMILES

COCOC[C@H]1O[C@H]([C@@H]2OC(C)(C)O[C@H]12)N1C(=O)NC(=O)C=C1CC1=C(N2[C@H](SC1)[C@H](NC(=O)CC1=CC=CC=C1)C2=O)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=BTTWMKOZCCDECO-DFBQYZHFSA-N

Formula

C43H44N4O11S

Mass

824.9

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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

Diphenylmethanes N-acyl-alpha amino acids and derivatives Benzyloxycarbonyls Phenylacetamides Pyrimidones Ketals 1,3-thiazines Monosaccharides Hydropyrimidines Oxolanes Tertiary carboxylic acid amides 1,3-dioxolanes Vinylogous amides Enoate esters Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Ureas Thiohemiaminal derivatives Oxacyclic compounds Azacyclic compounds Dialkylthioethers Monocarboxylic acids and derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - Diphenylmethane - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Phenylacetamide - Ketal - Pyrimidone - Meta-thiazine - Monocyclic benzene moiety - Hydropyrimidine - Monosaccharide - Pyrimidine - Benzenoid - Meta-dioxolane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Oxolane - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Azetidine - Carboxylic acid ester - Secondary carboxylic acid amide - Urea - Azacycle - Carboxylic acid derivative - Dialkylthioether - Acetal - Monocarboxylic acid or derivatives - Thioether - Hemithioaminal - Oxacycle - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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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