Structure Information
Structure

Compound Identification

SMILES

CCSCCC(NC(=O)C1=CC=C(N)C=C1)C(O)=O

InChIKey

InChIKey=GVRFBOJIVUNAGD-UHFFFAOYSA-N

Formula

C13H18N2O3S

Mass

282.36

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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 - Hippuric acids and derivatives

Direct Parent

Hippuric acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Aniline or substituted anilines - Benzoyl - Thia fatty acid - Fatty acyl - Amino acid or derivatives - Amino acid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Thioether - Sulfenyl compound - Monocarboxylic acid or derivatives - Dialkylthioether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.

External Descriptors

Not available

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