Compound Identification
SMILES
CCCCCC1CC2CC1C(NC1=NC(NC(CC)=CC(=NC(=O)CC)C(C)=C)=NC=C1F)C2C(N)=O
InChIKey
InChIKey=WXSCBPBLVPBDHI-UHFFFAOYSA-N
Formula
C28H41FN6O2
Mass
512.674
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
Aromatic monoterpenoids Bicyclic monoterpenoids Secondary alkylarylamines Aminopyrimidines and derivatives Halopyrimidines Aryl fluorides Imidolactams Secondary ketimines Heteroaromatic compounds Azomethines Primary carboxylic acid amides N-acylimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Enamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Aromatic monoterpenoid - Monoterpenoid - Norbornane monoterpenoid - Bicyclic monoterpenoid - Aminopyrimidine - Secondary aliphatic/aromatic amine - Halopyrimidine - Aryl fluoride - Aryl halide - Pyrimidine - Imidolactam - Azomethine - Heteroaromatic compound - Secondary ketimine - Carboxamide group - Primary carboxylic acid amide - N-acylimine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Enamine - Propargyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen 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