Compound Identification
SMILES
CC1=CC(=CC(NC(=O)C(CC2=CC=C(C=C2)C(=O)NCCC(O)=O)C2CCC(CC2)C(C)(C)C)=C1)C(F)(F)F
InChIKey
InChIKey=JYVUKUMYPNOQKY-UHFFFAOYSA-N
Formula
C31H39F3N2O4
Mass
560.658
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
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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 Aromatic monoterpenoids Menthane monoterpenoids Monocyclic monoterpenoids Anilides Benzamides Benzoyl derivatives N-arylamides Toluenes Fatty amides Secondary carboxylic acid amides Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Aromatic monoterpenoid - Trifluoromethylbenzene - Monocyclic monoterpenoid - P-menthane monoterpenoid - Monoterpenoid - Benzamide - Benzoic acid or derivatives - Anilide - Benzoyl - N-arylamide - Toluene - Monocyclic benzene moiety - Fatty acyl - Fatty amide - Benzenoid - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - 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