Structure Information
Structure

Compound Identification

SMILES

CN(CC(=O)NC(CCCN=C(N)N)B(O)O)C(=O)C1=CC(NC2=CC=CC=C2)=CC=C1

InChIKey

InChIKey=BRFFDGWLLQBZQZ-UHFFFAOYSA-N

Formula

C21H29BN6O4

Mass

440.31

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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

Hippuric acid or derivatives - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Primary aromatic amine - Tertiary carboxylic acid amide - Amino acid or derivatives - Boronic acid derivative - Boronic acid - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic metalloid salt - Secondary amine - Carboxylic acid derivative - Hydrocarbon derivative - Monoalkylborane - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Alkylborane - Organic oxide - Organic metalloid moeity - Organonitrogen compound - Organooxygen 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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