Compound Identification
SMILES
OCC(NC(=O)C1=NC2=CC=CC=C2C=C1)C(=O)N1CCN(CC1)C1=NC=CC=N1
InChIKey
InChIKey=GXAIBPVKIVWVLV-UHFFFAOYSA-N
Formula
C21H22N6O3
Mass
406.446
Taxonomic Classification
Taxonomy Tree
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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
Quinoline carboxamides Alpha amino acid amides N-arylpiperazines Pyridinecarboxylic acids and derivatives 2-heteroaryl carboxamides Dialkylarylamines Aminopyrimidines and derivatives Benzenoids Heteroaromatic compounds Tertiary carboxylic acid amides Secondary carboxylic acid amides Azacyclic compounds Organic oxides Carbonyl compounds Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Quinoline-2-carboxamide - Alpha-amino acid amide - N-arylpiperazine - Quinoline - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Dialkylarylamine - Aminopyrimidine - 1,4-diazinane - Piperazine - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Alcohol - Organic nitrogen compound - Carbonyl group - Primary alcohol - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic 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