Structure Information
Structure

Compound Identification

SMILES

CC1=CC(C[C@H](NC2=CC=CC=C2)C(=O)N[C@@H](COCC2=CC=C(C=C2)C(O)=O)C#N)=CC=C1

InChIKey

InChIKey=CYMHTKKOUMCVCF-RPBOFIJWSA-N

Formula

C27H27N3O4

Mass

457.53

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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 homomonocyclic compounds

Substituents

Phenylalanine or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - Benzoic acid or derivatives - Benzoic acid - Benzylether - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Aralkylamine - Toluene - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Secondary amine - Nitrile - Carbonitrile - Ether - Dialkyl ether - Carboxylic acid - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Cyanide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Aromatic homomonocyclic 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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