Structure Information
Structure

Compound Identification

SMILES

COCCCN(CCC(=O)NC1=CC=CC=C1F)C(=O)C1=NC=CN=C1

InChIKey

InChIKey=WDGOAHLCOHUOFY-UHFFFAOYSA-N

Formula

C18H21FN4O3

Mass

360.389

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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

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Beta amino acid or derivatives - Pyrazine carboxylic acid or derivatives - Pyrazinecarboxamide - Anilide - 2-heteroaryl carboxamide - N-arylamide - Halobenzene - Fluorobenzene - Aryl fluoride - Benzenoid - Monocyclic benzene moiety - Pyrazine - Aryl halide - Tertiary carboxylic acid amide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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