Compound Identification
SMILES
CC(C)C1=CN=C(N=C1NC1=C(C=NC=C1)C(=O)NC(C(C)O)C(N)=O)C1=C(F)C=CC(Cl)=C1
InChIKey
InChIKey=SCXVYMMAVFSKFS-UHFFFAOYSA-N
Formula
C23H24ClFN6O3
Mass
486.93
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
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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 - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Nicotinamides Aminopyridines and derivatives Aminopyrimidines and derivatives Fluorobenzenes Chlorobenzenes Aryl chlorides Imidolactams Aryl fluorides Fatty amides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Primary carboxylic acid amides Azacyclic compounds Amines Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Pyridine carboxylic acid or derivatives - Nicotinamide - Aminopyridine - Aminopyrimidine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Monocyclic benzene moiety - Imidolactam - Benzenoid - Fatty acyl - Pyrimidine - Pyridine - Aryl fluoride - Fatty amide - Aryl halide - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Primary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Alcohol - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available