Compound Identification
SMILES
CC1N(CCC2=C1N=C(C1CC1)N2C)C(=O)C[C@H](N)CC1=CC(F)=C(F)C=C1F
InChIKey
InChIKey=ZTMOOPAODHLPIS-SBXXRYSUSA-N
Formula
C21H25F3N4O
Mass
406.453
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
Amphetamines and derivatives Imidazopyridines Imidazopiperidines Aralkylamines Fluorobenzenes N-substituted imidazoles Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Amphetamine or derivatives - Imidazopiperidine - Imidazopyridine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Tertiary carboxylic acid amide - Azole - Imidazole - Heteroaromatic compound - Tertiary amine - Carboxamide group - Organoheterocyclic compound - Azacycle - Organooxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Amine - Carbonyl group - Organic oxygen compound - Organohalogen compound - Primary amine - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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