Structure Information
Structure

Compound Identification

SMILES

CC1=CC(C(=O)N(CCC(=O)NCC2=CC3=C(OCO3)C=C2)CC2=CC=C(F)C=C2)=C(C)O1

InChIKey

InChIKey=HIWCLDPQJLPJIX-UHFFFAOYSA-N

Formula

C25H25FN2O5

Mass

452.482

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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 - Benzodioxole - Furoic acid or derivatives - Furan-3-carboxylic acid or derivatives - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Furan - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Acetal - Organoheterocyclic compound - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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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