Structure Information
Structure

Compound Identification

SMILES

COC(=O)CCCC(CC(=O)OC)NC(=O)CCC(=O)N(C(=C)\N=C/C=C(\N)C1=CC(Cl)=CC=C1)C1=CC=C(C=C1)C(F)(F)F

InChIKey

InChIKey=AKSIKZXHQBYESI-CARQWJSXSA-N

Formula

C31H34ClF3N4O6

Mass

651.08

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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 - Trifluoromethylbenzene - Anilide - Styrene - Chlorobenzene - Fatty acid methyl ester - Fatty acid ester - Halobenzene - Aryl halide - Aryl chloride - Fatty acyl - Dicarboxylic acid or derivatives - Benzenoid - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Methyl ester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Shiff base - Secondary carboxylic acid amide - Ketene acetal or derivatives - Aldimine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Enamine - Organonitrogen compound - Amine - Alkyl halide - Primary amine - Imine - Alkyl fluoride - Primary aliphatic amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organofluoride - 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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