Compound Identification
SMILES
CC(C)NC(=O)[C@H]1CCC[C@H]1NC1=NC(NC2=CC=C(C=C2)C(=O)N(C)C2CC(C)(C)N(C)C(C)(C)C2)=NC=C1C(F)(F)F
InChIKey
InChIKey=KVGALIKPCMIYLV-UKILVPOCSA-N
Formula
C32H46F3N7O2
Mass
617.762
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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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
Benzamides Aniline and substituted anilines Benzoyl derivatives Aminopyrimidines and derivatives Piperidines Imidolactams Heteroaromatic compounds Tertiary carboxylic acid amides Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Aminopyrimidine - Monocyclic benzene moiety - Piperidine - Pyrimidine - Benzenoid - Imidolactam - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Amine - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Alkyl halide - 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