Structure Information
Structure

Compound Identification

SMILES

CCC(C)(C)C(=O)SC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(N)=O

InChIKey

InChIKey=BBQNUWAAJAAXHB-AWEZNQCLSA-N

Formula

C18H26N2O3S

Mass

350.48

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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

Valine or derivatives - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - O-sulfanylbenzoic acid or derivatives - Thiophenol ester - Aryl thioether - Benzoyl - Fatty acyl thioester - Fatty amide - Fatty acyl - Carboxamide group - Carbothioic s-ester - Thiocarboxylic acid ester - Primary carboxylic acid amide - Secondary carboxylic acid amide - Sulfenyl compound - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - 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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