Compound Identification
SMILES
OC(=O)CCNCC1=C(Cl)C=C2C(CC\C2=N/OCC2=CC(=C(C=C2)C2CCCCC2)C(F)(F)F)=C1
InChIKey
InChIKey=VMRCTWBFJYGEDQ-INKHBPHZSA-N
Formula
C27H30ClF3N2O3
Mass
522.99
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 Indanes Aralkylamines Aryl chlorides Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Beta amino acid or derivatives - Trifluoromethylbenzene - Indane - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Amino acid - Secondary amine - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organooxygen compound - Organohalogen compound - Organochloride - Organic oxygen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic 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