Structure Information
Structure

Compound Identification

SMILES

Cl.NCC(CC1=CC=C(OCCOC2=C(F)C=CC=C2F)C=C1)C(=O)N1CCCC2=C1C=CC(F)=C2

InChIKey

InChIKey=KDJHWMWCHRGQAV-UHFFFAOYSA-N

Formula

C27H28ClF3N2O3

Mass

520.98

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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 - Tetrahydroquinoline - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fluorobenzene - Aralkylamine - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Tertiary amine - Azacycle - Ether - Organoheterocyclic compound - Primary amine - Primary aliphatic amine - Amine - Organohalogen compound - Hydrochloride - Organofluoride - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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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