Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)N1CCC2=C(N=CN2)C1C1=CC=NC=C1

InChIKey

InChIKey=AGGDSGDVZDJODM-UHFFFAOYSA-N

Formula

C22H23N5O3

Mass

405.458

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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-carbamoyl-alpha-amino acid or derivatives - N-carbamoyl-alpha-amino acid - Alpha-amino acid ester - Amphetamine or derivatives - Imidazopyridine - Imidazopiperidine - Fatty acid ester - Fatty acyl - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Methyl ester - Imidazole - Azole - Urea - Carbonic acid derivative - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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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