Structure Information
Structure

Compound Identification

SMILES

COC(=O)CN1C(CN2CCN(CC2)C2=CC=CC=C2)=NC2=C1C(=O)N(C)C(=O)N2C

InChIKey

InChIKey=AJIXFGNRBHMSJE-UHFFFAOYSA-N

Formula

C21H26N6O4

Mass

426.477

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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

Alpha amino acid esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid ester - Phenylpiperazine - N-arylpiperazine - Xanthine - 6-oxopurine - Purinone - Imidazopyrimidine - Purine - Alkaloid or derivatives - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Pyrimidone - Aralkylamine - N-alkylpiperazine - Benzenoid - 1,4-diazinane - N-substituted imidazole - Monocyclic benzene moiety - Piperazine - Pyrimidine - Imidazole - Azole - Heteroaromatic compound - Methyl ester - Vinylogous amide - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - Lactam - Urea - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Amine - Organic oxide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.

External Descriptors

Not available

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