Structure Information
Structure

Compound Identification

SMILES

OC(=O)[C@H](CC1=CC=C(C=C1)C1=CC=C(C=C1)C#N)NC(=O)[C@@H]1CC2=CC3=C(OC(CO3)C3=CC=C(OCC4=CC(Cl)=C(Cl)C=C4)C=C3)C=C2CN1CC1=CC=NC=C1

InChIKey

InChIKey=SMFWVOPIZVAGPT-HNGVJOSZSA-N

Formula

C47H38Cl2N4O6

Mass

825.74

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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 - 2-phenylbenzo-1,4-dioxane - Phenylbenzodioxane - Biphenylcarbonitrile - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Biphenyl - Alpha-amino acid amide - 3-phenylpropanoic-acid - Benzodioxane - Tetrahydroisoquinoline - Amphetamine or derivatives - Benzo-1,4-dioxane - Benzonitrile - Phenoxy compound - 1,2-dichlorobenzene - Phenol ether - Aralkylamine - Chlorobenzene - Halobenzene - Alkyl aryl ether - Benzenoid - Aryl chloride - Aryl halide - Para-dioxin - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid - Oxacycle - Ether - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Amine - Organic oxygen 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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