Structure Information
Structure

Compound Identification

SMILES

OC(=O)CCNC1CCC2=C1C=CC(OCC1=CC(=C(S1)C(F)(F)F)C1=CC=CC=C1)=C2

InChIKey

InChIKey=UKACCPBZZABPAL-UHFFFAOYSA-N

Formula

C24H22F3NO3S

Mass

461.5

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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 - Indane - Phenol ether - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Thiophene - Heteroaromatic compound - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Secondary amine - Secondary aliphatic amine - Ether - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - 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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