Structure Information
Structure

Compound Identification

SMILES

CC1=CC(Cl)=C(OCCOC2=CC=C(CC(CNC(O)=O)C(=O)N(CC3=C(Cl)C(Cl)=CC=C3)CC(F)(F)F)C=C2)C(Cl)=C1

InChIKey

InChIKey=ZJDTVLIKAZTUKF-UHFFFAOYSA-N

Formula

C29H27Cl4F3N2O5

Mass

682.34

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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 homomonocyclic compounds

Substituents

Beta amino acid or derivatives - 1,2-dichlorobenzene - 1,3-dichlorobenzene - Phenol ether - Phenoxy compound - Chlorobenzene - Toluene - Alkyl aryl ether - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carbamic acid - Carbamic acid derivative - Carboxamide group - Ether - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organochloride - Alkyl fluoride - Alkyl halide - Aromatic homomonocyclic 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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