Compound Identification
SMILES
CCOC(=O)CC(C)NC1=NC=C2CN(C(=O)NC2=N1)C1=CC=CC=C1Cl
InChIKey
InChIKey=IGDQTQAQUKFZQO-UHFFFAOYSA-N
Formula
C18H20ClN5O3
Mass
389.84
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
Pyrimidones Aminopyrimidines and derivatives Fatty acid esters Chlorobenzenes Aryl chlorides Imidolactams Heteroaromatic compounds Ureas Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Aminopyrimidine - Halobenzene - Fatty acid ester - Chlorobenzene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Imidolactam - Benzenoid - Pyrimidine - Heteroaromatic compound - Urea - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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