Structure Information
Structure

Compound Identification

SMILES

NC(=O)[C@H](CC1=CC=C(OCC2=CC=CC=C2)C=C1)NC(=O)C1=C2OCCC(NCC3=CN=CN3CC3=CC=C(C=C3)C#N)C2=CC=C1

InChIKey

InChIKey=MCIPDCTZIUUKTP-HTIIIDOHSA-N

Formula

C38H36N6O4

Mass

640.744

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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 - Amphetamine or derivatives - 1-benzopyran - Chromane - Benzopyran - Phenoxy compound - Phenol ether - Benzonitrile - Alkyl aryl ether - Aralkylamine - N-substituted imidazole - Monocyclic benzene moiety - Fatty amide - Benzenoid - Fatty acyl - Imidazole - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Carboxamide group - Primary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Ether - Secondary amine - Nitrile - Carbonitrile - Carbonyl group - Amine - Organic oxygen compound - Cyanide - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen 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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