Structure Information
Structure

Compound Identification

SMILES

[Na+].CC1=C(C=C(C=C1)C(=O)NC(CC1=CC=CC=C1)C([O-])=O)N(CCCl)CCCl

InChIKey

InChIKey=BQHBRMFSBVLTGL-UHFFFAOYSA-M

Formula

C21H23Cl2N2NaO3

Mass

445.32

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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

Direct Parent

Phenylalanine and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Phenylalanine or derivatives - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - 3-phenylpropanoic-acid - Aminobenzamide - Amphetamine or derivatives - Aminobenzoic acid or derivatives - P-toluamide - Toluamide - Benzamide - Benzoic acid or derivatives - Aminotoluene - Nitrogen mustard - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzoyl - Toluene - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Carboxylic acid salt - Amino acid - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Organic metal halide - Organic alkali metal salt - Alkyl chloride - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

External Descriptors

Not available

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