Compound Identification
SMILES
CC(=O)CCCC(=O)NC1N=C(C2=CC=CC=C2)C2=CC=CC=C2N(CC(=O)NCCCC2=CC(Cl)=CC=C2)C1=O
InChIKey
InChIKey=HNMXJDSIYLDSQI-UHFFFAOYSA-N
Formula
C32H33ClN4O4
Mass
573.09
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 Chlorobenzenes N-acyl amines Aryl chlorides Tertiary carboxylic acid amides Tertiary amines Secondary carboxylic acid amides Lactams Ketones Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - 1,4-benzodiazepine - Benzodiazepine - Halobenzene - Chlorobenzene - Aryl halide - Fatty acyl - N-acyl-amine - Fatty amide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Tertiary amine - Secondary carboxylic acid amide - Ketimine - Ketone - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Imine - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - 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