Compound Identification
SMILES
CC1=CC(Cl)=CN2C(CC(=O)N3CCCCC3)C(=NC12)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=KSJLWUUHKJHUDM-UHFFFAOYSA-N
Formula
C21H23Cl2N3O
Mass
404.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
Imidazopyridines N-acylpiperidines Chlorobenzenes Dihydropyridines Aryl chlorides Tertiary carboxylic acid amides Imidazolines Ketimines Azacyclic compounds Enamines Propargyl-type 1,3-dipolar organic compounds Vinyl chlorides Chloroalkenes Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Imidazopyridine - N-acyl-piperidine - Chlorobenzene - Dihydropyridine - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - 3-imidazoline - Tertiary carboxylic acid amide - Carboxamide group - Ketimine - Azacycle - Chloroalkene - Haloalkene - Enamine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl chloride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Imine - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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