Structure Information
Structure

Compound Identification

SMILES

CCN(CC)C1=CC=C(C=C1)N(CC1=CC=C(C=C1)C(=O)NCCC(O)=O)C(=O)NC1=CC=C(OC(F)(F)F)C=C1

InChIKey

InChIKey=LQENVAYCZNXEPD-UHFFFAOYSA-N

Formula

C29H31F3N4O5

Mass

572.585

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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 - N-phenylurea - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Urea - Tertiary amine - Amino acid - Secondary carboxylic acid amide - Trihalomethane - Carboxamide group - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Halomethane - 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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