Structure Information
Structure

Compound Identification

SMILES

Cl.CN(CC(O)=O)C(C1CCC2=C(C1)C=CC(=C2)C#N)C1=CC=CC=C1

InChIKey

InChIKey=NGKANKBWEREGKU-UHFFFAOYSA-N

Formula

C21H23ClN2O2

Mass

370.88

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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 - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives - N-acyl-alpha amino acids

Direct Parent

N-benzylalanines

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

N-benzylalanine - Alpha-amino acid - Tetralin - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Amino acid - Tertiary aliphatic amine - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organonitrogen compound - Organic oxygen compound - Cyanide - Amine - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-benzylalanines. These are n-benzyl derivatives of alanine.

External Descriptors

Not available

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