Compound Identification
SMILES
C[C@@H](NCCC(=O)N(CC1=CC=C(C=C1)C(F)(F)F)CC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC2=CC=CC=C12
InChIKey
InChIKey=WXABBOXHSZXCIC-OAQYLSRUSA-N
Formula
C31H28F6N2O
Mass
558.568
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 Naphthalenes Aralkylamines Tertiary carboxylic acid amides Dialkylamines Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Beta amino acid or derivatives - Naphthalene - Trifluoromethylbenzene - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organooxygen compound - Alkyl halide - Carbonyl group - Organic nitrogen compound - Alkyl fluoride - Amine - Organic oxide - 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