Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)N(C(CC(=O)NC1=NC=C2C=CC(=CC2=C1)C1=CNN=C1)C1=C(F)C=CC=C1F)C(O)=O

InChIKey

InChIKey=IXTHHLYCHMJMMV-UHFFFAOYSA-N

Formula

C26H25F2N5O3

Mass

493.515

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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 - Isoquinoline - N-arylamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Imidolactam - Benzenoid - Pyridine - Azole - Heteroaromatic compound - Pyrazole - Secondary carboxylic acid amide - Carbamic acid - Carbamic acid derivative - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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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