Structure Information
Structure

Compound Identification

SMILES

COC1=C(CNCCC(O)=O)C=C2CCC\C(=N/OCC3=CC(=C(C=C3)C3CCCCC3)C(F)(F)F)C2=C1

InChIKey

InChIKey=XQQIHUKEIBQKKB-JJNGWGCYSA-N

Formula

C29H35F3N2O4

Mass

532.604

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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 - Trifluoromethylbenzene - Tetralin - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Amino acid - Secondary amine - Carboxylic acid - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - 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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