Structure Information
Structure

Compound Identification

SMILES

CN(C(=O)C1CNC2=C(O1)C=CC(OC(F)(F)F)=C2)C1=CC(O)=C(C=C1)C(C)(C)C

InChIKey

InChIKey=QWCIMCULMJFLGD-UHFFFAOYSA-N

Formula

C21H23F3N2O4

Mass

424.42

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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 - Benzomorpholine - Benzoxazine - Phenylpropane - Anilide - Phenol ether - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Secondary aliphatic/aromatic amine - Phenol - Monocyclic benzene moiety - Oxazinane - Benzenoid - Tertiary carboxylic acid amide - Trihalomethane - Carboxamide group - Tertiary amine - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Secondary amine - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Alkyl halide - Amine - 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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