Structure Information
Structure

Compound Identification

SMILES

CCC(COC(=O)CNC1=CC(NC2=NC=CC(=N2)C2=CN=CC=C2)=C(C)C=C1)O[N+]([O-])=O

InChIKey

InChIKey=GTKXFVFTUXVWJC-UHFFFAOYSA-N

Formula

C22H24N6O5

Mass

452.471

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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 heteromonocyclic compounds

Substituents

Alpha-amino acid ester - Pyridinylpyrimidine - Diaminotoluene - Aminotoluene - Phenylalkylamine - Aniline or substituted anilines - Aminopyrimidine - Secondary aliphatic/aromatic amine - Toluene - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Organic nitrate - Heteroaromatic compound - Alkyl nitrate - Carboxylic acid ester - Organic nitric acid or derivatives - Organic nitro compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Monocarboxylic acid or derivatives - Organic salt - Organonitrogen compound - Amine - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic zwitterion - Aromatic heteromonocyclic 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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