Structure Information
Structure

Compound Identification

SMILES

CC1N(CCC2=C1N=C(C1CC1)N2C)C(=O)C[C@H](N)CC1=CC(F)=C(F)C=C1F

InChIKey

InChIKey=ZTMOOPAODHLPIS-SBXXRYSUSA-N

Formula

C21H25F3N4O

Mass

406.453

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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 heteropolycyclic compounds

Substituents

Beta amino acid or derivatives - Amphetamine or derivatives - Imidazopiperidine - Imidazopyridine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Tertiary carboxylic acid amide - Azole - Imidazole - Heteroaromatic compound - Tertiary amine - Carboxamide group - Organoheterocyclic compound - Azacycle - Organooxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Amine - Carbonyl group - Organic oxygen compound - Organohalogen compound - Primary amine - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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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