Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(CC(=O)N(C(C)C)C1=C(C)C=C(C#CCNC2=CC=C(C=C2)C(N)=N)C(C)=C1)NC(=O)C(F)(F)F

InChIKey

InChIKey=WKGKJCMEGQVXAQ-UHFFFAOYSA-N

Formula

C28H32F3N5O4

Mass

559.59

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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 - Alpha amino acids and derivatives

Direct Parent

Asparagine and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Asparagine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Anilide - Aniline or substituted anilines - Phenylalkylamine - P-xylene - Xylene - Fatty acid ester - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Methyl ester - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Amidine - Carboxylic acid amidine - Carboximidamide - Secondary amine - Monocarboxylic acid or derivatives - Organic oxygen compound - Amine - Alkyl fluoride - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl halide - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as asparagine and derivatives. These are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

External Descriptors

Not available

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