Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1CN(CC2=CC(NC(=O)[C@H](CC3=CC=CC=C3)NCC3=CN=CC=C3)=CC(=C2)C2=CC(C)=NC=C2)C1

InChIKey

InChIKey=HNTQRHGHOABBDA-HKBQPEDESA-N

Formula

C33H35N5O3

Mass

549.675

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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 heteromonocyclic compounds

Substituents

Phenylalanine or derivatives - Alpha-amino acid amide - 4-phenylpyridine - Amphetamine or derivatives - Anilide - Phenylmethylamine - N-arylamide - Benzylamine - Azetidinecarboxylic acid - Methylpyridine - Aralkylamine - Fatty amide - Benzenoid - Monocyclic benzene moiety - Pyridine - Fatty acyl - Methyl ester - Heteroaromatic compound - Azetidine - Carboxamide group - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary aliphatic amine - Azacycle - Secondary amine - Organic oxygen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic 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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