Structure Information
Structure

Compound Identification

SMILES

Br.NC(CC1=CC=CC=C1)C(=O)NC1=CC2=C(C=C1)C(C1=C(O2)C=C(NC(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C=C1)C1=C(C(O)=O)C(O)=CC=C1

InChIKey

InChIKey=WPSXJKMKVANXRX-UHFFFAOYSA-N

Formula

C36H25BrF5N3O6

Mass

770.507

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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 - Dibenzopyran - Xanthene - Alpha-amino acid amide - Diaryl ether - Hydroxybenzoic acid - Amphetamine or derivatives - Salicylic acid or derivatives - Salicylic acid - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzopyran - 1-benzopyran - Benzamide - Benzoic acid or derivatives - Benzoic acid - N-arylamide - Benzoyl - Fluorobenzene - Aralkylamine - Halobenzene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acyl - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Fatty amide - Benzenoid - Vinylogous acid - Vinylogous halide - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Ether - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Organofluoride - Organohalogen compound - Carbonyl group - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrobromide - Primary amine - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organooxygen compound - 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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