Structure Information
Structure

Compound Identification

SMILES

COC1=C(C)C=CC(C=NNC(=O)C(CSCC2=CC=CC=C2)NC(=O)C2=CC=C(C=C2)[N+]([O-])=O)=C1

InChIKey

InChIKey=QOSNBZXXEWGYPU-UHFFFAOYSA-N

Formula

C26H26N4O5S

Mass

506.58

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Benzamides

Direct Parent

Hippuric acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Cysteine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Nitrobenzene - Phenol ether - Phenoxy compound - Nitroaromatic compound - Benzoyl - Methoxybenzene - Anisole - Alkyl aryl ether - Toluene - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Organic nitro compound - Dialkylthioether - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organic salt - Organic zwitterion - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.

External Descriptors

Not available

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