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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Asparagine and derivatives
-
Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
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
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Anilides p-Xylenes Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Fatty acid esters Tertiary carboxylic acid amides Methyl esters Secondary carboxylic acid amides Carboxamidines Carboximidamides Monocarboxylic acids and derivatives Alkyl fluorides Carbonyl compounds Organic oxides Organopnictogen compounds Organofluorides Hydrocarbon derivatives
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