Structure Information
Structure

Compound Identification

SMILES

CC1(C)N(CCN(C2=CC=C(C[C@H](NC(=O)C3=C(Cl)C=CC=C3Cl)C(O)=O)C=C2)C1=O)C1=CC=CC=C1

InChIKey

InChIKey=KTEFJHFTAOUCLU-QHCPKHFHSA-N

Formula

C28H27Cl2N3O4

Mass

540.44

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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 heteromonocyclic compounds

Substituents

Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid or derivatives - Hippuric acid - Phenylpiperazine - N-arylpiperazine - 3-phenylpropanoic-acid - Amphetamine or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Tertiary carboxylic acid amide - Vinylogous halide - Tertiary amine - Secondary carboxylic acid amide - Lactam - Amino acid - Carboxamide group - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid - Azacycle - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Aromatic heteromonocyclic 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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