Structure Information
Structure

Compound Identification

SMILES

C[C@@H](NCCC(=O)N(CC1=CC=C(C=C1)C(F)(F)F)CC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC2=CC=CC=C12

InChIKey

InChIKey=WXABBOXHSZXCIC-OAQYLSRUSA-N

Formula

C31H28F6N2O

Mass

558.568

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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 homopolycyclic compounds

Substituents

Beta amino acid or derivatives - Naphthalene - Trifluoromethylbenzene - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organooxygen compound - Alkyl halide - Carbonyl group - Organic nitrogen compound - Alkyl fluoride - Amine - Organic oxide - Aromatic homopolycyclic 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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