Structure Information
Structure

Compound Identification

SMILES

N[C@@H](CC(=O)N1CCN2C(N=NC2=C1)C(F)(F)F)CC1=CC(F)=C(F)C=C1F

InChIKey

InChIKey=XLFOKLREAZRORJ-WXMRUQJCSA-N

Formula

C16H15F6N5O

Mass

407.32

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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 - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Triazoline - Tertiary carboxylic acid amide - Azo compound - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Primary aliphatic amine - Primary amine - Organic nitrogen compound - Amine - Carbonyl group - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen 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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