Structure Information
Structure

Compound Identification

SMILES

CCCO\N=C(/C(=O)N[C@@H]1[C@H]2SCC(O)=C(N2C1=O)C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O)C1=CSC(NC=O)=N1

InChIKey

InChIKey=YNYPJXLJBVDHCY-FILQLTTOSA-N

Formula

C23H22N6O9S2

Mass

590.58

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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 Nitrobenzenes Nitroaromatic compounds N-arylamides 2,4-disubstituted thiazoles 1,3-thiazines Vinylogous acids Tertiary carboxylic acid amides Enoate esters Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkylthioethers Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - N-arylamide - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Tertiary carboxylic acid amide - Thiazole - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Azole - Azetidine - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Hemithioaminal - Thioether - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Dialkylthioether - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Organic zwitterion - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - 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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