Compound Identification
SMILES
COC(=O)CCCC(CC(=O)OC)NC(=O)CCC(=O)N(C(=C)\N=C/C=C(\N)C1=CC(Cl)=CC=C1)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=AKSIKZXHQBYESI-CARQWJSXSA-N
Formula
C31H34ClF3N4O6
Mass
651.08
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 Beta 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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Trifluoromethylbenzenes Anilides Styrenes Chlorobenzenes Fatty acid methyl esters Aryl chlorides Dicarboxylic acids and derivatives N-acyl amines Tertiary carboxylic acid amides Methyl esters Shiff bases Secondary carboxylic acid amides Ketene acetals Propargyl-type 1,3-dipolar organic compounds Enamines Alkyl fluorides Organic oxides Organochlorides Carbonyl compounds Organofluorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Trifluoromethylbenzene - Anilide - Styrene - Chlorobenzene - Fatty acid methyl ester - Fatty acid ester - Halobenzene - Aryl halide - Aryl chloride - Fatty acyl - Dicarboxylic acid or derivatives - Benzenoid - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Methyl ester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Shiff base - Secondary carboxylic acid amide - Ketene acetal or derivatives - Aldimine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Enamine - Organonitrogen compound - Amine - Alkyl halide - Primary amine - Imine - Alkyl fluoride - Primary aliphatic amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organofluoride - Aromatic homomonocyclic 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