Structure Information
Structure

Compound Identification

SMILES

COC1=C(C)C2=C(C=C1)C(CC(=O)NC(CC1=CC=C(Cl)C=C1)C(O)=O)=CC(=O)O2

InChIKey

InChIKey=VCBDJPDTKSOARE-UHFFFAOYSA-N

Formula

C22H20ClNO6

Mass

429.85

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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 heteropolycyclic compounds

Substituents

Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Coumarin - 3-phenylpropanoic-acid - Amphetamine or derivatives - Benzopyran - 1-benzopyran - Anisole - Alkyl aryl ether - Halobenzene - Chlorobenzene - Pyranone - Aryl chloride - Pyran - Benzenoid - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Lactone - Ether - Carboxylic acid - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Aromatic heteropolycyclic 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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