Compound Identification
SMILES
C[C@H]([C@@H](O)COC1CCCCC1)C(=O)NC1N=C(C2=CC=CC=C2)C2=C(C=CC(Cl)=C2)N(C)C1=O
InChIKey
InChIKey=DKEZVIVKGSKXTR-OPFWIPQXSA-N
Formula
C27H32ClN3O4
Mass
498.02
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 Aryl chlorides Benzene and substituted derivatives N-acyl amines Tertiary carboxylic acid amides Secondary carboxylic acid amides Secondary alcohols Lactams Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkyl ethers Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Benzodiazepine - 1,4-benzodiazepine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Fatty amide - Benzenoid - N-acyl-amine - Tertiary carboxylic acid amide - Carboxamide group - Ketimine - Lactam - Secondary carboxylic acid amide - Secondary alcohol - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Imine - Organic oxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - 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