Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(COC(=O)C2=C(CCC3=CC=C(C=C3)[N+]([O-])=O)CS[C@@H]3[C@H](NC(=O)CC4=CC=CC=C4)C(=O)N23)C=C1

InChIKey

InChIKey=FEASKDARVPRFLQ-POURPWNDSA-N

Formula

C31H29N3O7S

Mass

587.65

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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 Phenylacetamides Nitrobenzenes Phenoxy compounds Anisoles Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers 1,3-thiazines Tertiary carboxylic acid amides Enoate esters Secondary carboxylic acid amides Azetidines Monocarboxylic acids and derivatives Azacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Thiohemiaminal derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Phenylacetamide - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Nitrobenzene - Phenol ether - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Anisole - Alkyl aryl ether - Meta-thiazine - Benzenoid - Monocyclic benzene moiety - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Tertiary carboxylic acid amide - Azetidine - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Hemithioaminal - Thioether - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Dialkylthioether - Organic 1,3-dipolar compound - Organic oxoazanium - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organic zwitterion - Organonitrogen compound - Organooxygen 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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