Compound Identification
SMILES
CCN(CC)C1=NC(NC(=O)CCC2=C(Cl)C=C(Cl)C=C2)C(=O)N(C)C2=CC=CC=C12
InChIKey
InChIKey=HHDSSPZWIGTCLF-UHFFFAOYSA-N
Formula
C23H26Cl2N4O2
Mass
461.39
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
1,4-benzodiazepines Dichlorobenzenes Aryl chlorides Imidolactams Fatty amides Tertiary carboxylic acid amides Secondary carboxylic acid amides Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carboxamidines Carbonyl compounds Hydrocarbon derivatives Organic oxides Amines Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Benzodiazepine - 1,4-benzodiazepine - 1,3-dichlorobenzene - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Benzenoid - Fatty amide - Fatty acyl - Imidolactam - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Lactam - Secondary carboxylic acid amide - Carboxamide group - Amidine - Carboxylic acid amidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - 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