Compound Identification
SMILES
CN1CCN(CCC(=O)N(C2CCN(CC2)C(=O)NC2=CC=CC=C2C(F)(F)F)C2=CC=CC=C2)CC1
InChIKey
InChIKey=LAWIBIMUMIPXPO-UHFFFAOYSA-N
Formula
C27H34F3N5O2
Mass
517.597
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 N-phenylureas Piperidinecarboxamides Anilides N-methylpiperazines Tertiary carboxylic acid amides Ureas Trialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - N-phenylurea - Trifluoromethylbenzene - 1-piperidinecarboxamide - Piperidinecarboxamide - Anilide - N-methylpiperazine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Piperidine - Benzenoid - Tertiary carboxylic acid amide - Tertiary amine - Urea - Tertiary aliphatic amine - Carboxamide group - Organoheterocyclic compound - Azacycle - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl halide - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic 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