Structure Information
Structure

Compound Identification

SMILES

CC1=C(CC(=O)NC(CC2=CC=C(Cl)C=C2)C(O)=O)C(=O)OC2=C1C=C1C(OC=C1C1=CC=C(Cl)C=C1)=C2

InChIKey

InChIKey=CADCBCBUNYHZSG-UHFFFAOYSA-N

Formula

C29H21Cl2NO6

Mass

550.39

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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 - Phenylbenzofuran - Furanocoumarin - Linear furanocoumarin - Psoralen - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Coumarin - 3-phenylpropanoic-acid - Amphetamine or derivatives - Benzopyran - 1-benzopyran - Benzofuran - Chlorobenzene - Halobenzene - Pyranone - Benzenoid - Aryl chloride - Pyran - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Furan - Secondary carboxylic acid amide - Lactone - Carboxamide group - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Organooxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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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