Structure Information
Structure

Compound Identification

SMILES

Cl.N[C@@H](CC(=O)N1CCCN(CC1)C(=O)C1=CC2=C(OCO2)C=C1)CC1=CC(F)=C(F)C=C1F

InChIKey

InChIKey=QQCXUNPCOVMAPG-PKLMIRHRSA-N

Formula

C23H25ClF3N3O4

Mass

499.92

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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 - Benzodioxole - 1,4-diazepane - Diazepane - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Acetal - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Primary amine - Organic oxide - Hydrochloride - Primary aliphatic amine - Organohalogen compound - Organofluoride - Organonitrogen 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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