Structure Information
Structure

Compound Identification

SMILES

COC(=O)CN1C(CN2CCN(CC3=CC=CC=C3)CC2)=NC2=C1C(=O)N(C)C(=O)N2C

InChIKey

InChIKey=MZSXPZMPSRBHMI-UHFFFAOYSA-N

Formula

C22H28N6O4

Mass

440.504

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