Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)CNC(=O)C1=CC=CC=C1SC(=O)CCCC[N+]1=CC=CC=C1

InChIKey

InChIKey=JIORYWHRLOYMAE-UHFFFAOYSA-O

Formula

C21H25N2O4S

Mass

401.5

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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 heteromonocyclic compounds

Substituents

Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - O-sulfanylbenzoic acid or derivatives - Thiophenol ester - Aryl thioether - Benzoyl - Fatty acyl thioester - Pyridine - Pyridinium - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Carbothioic s-ester - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Sulfenyl compound - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Carbonyl group - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic cation - Aromatic heteromonocyclic 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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