Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)C1=CC=C(C=C1)N(CC1=CC=C(C=C1)C(=O)NCC(F)(F)C(O)=O)C(=O)NC1=CC2=C(OC(F)(F)OC2(F)F)C=C1

InChIKey

InChIKey=KTXQVQRJLYQJKU-UHFFFAOYSA-N

Formula

C30H27F6N3O6

Mass

639.551

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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 - Benzo-1,3-dioxane - Benzodioxane - N-phenylurea - Benzamide - Benzoic acid or derivatives - Phenylpropane - Benzoyl - Monocyclic benzene moiety - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Urea - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid - Organoheterocyclic compound - Oxacycle - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - 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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