Structure Information
Structure

Compound Identification

SMILES

CC(C)(C(CCC1=CC=CC=C1)NC(=O)C1=CC=C(C=C1)C#N)C(O)=O

InChIKey

InChIKey=MUWQLVLLWTYRSE-UHFFFAOYSA-N

Formula

C21H22N2O3

Mass

350.418

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Beta amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzonitrile - Benzoyl - Medium-chain fatty acid - Amino fatty acid - Branched fatty acid - Methyl-branched fatty acid - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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