Structure Information
Structure

Compound Identification

SMILES

CC1=NC(=O)C2=C(N1)C=CC(CN(CC#C)C1=CC=C(C=C1)C(=O)N[C@@H](C(O)=O)C(C)(C)C)=C2

InChIKey

InChIKey=UFOIJGKLFSBQOT-QFIPXVFZSA-N

Formula

C26H28N4O4

Mass

460.534

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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 heteropolycyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Valine or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Quinazoline - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Aralkylamine - Pyrimidone - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Amino acid - Amino acid or derivatives - Acetylide - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic 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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