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](CCCCCC(O)=O)C(O)=O)=C2

InChIKey

InChIKey=SFGQWIZDENYDFC-DEOSSOPVSA-N

Formula

C28H30N4O6

Mass

518.57

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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

Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Quinazoline - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Medium-chain fatty acid - Tertiary aliphatic/aromatic amine - Amino fatty acid - Heterocyclic fatty acid - Aralkylamine - Pyrimidone - Dicarboxylic acid or derivatives - Fatty acyl - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Organoheterocyclic compound - Acetylide - Azacycle - Carboxylic acid derivative - Carboxylic acid - Carbonyl group - Amine - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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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