Compound Identification
SMILES
CCCN1C(=O)N(C)C(=O)C(C(=O)COC(=O)CCC(=O)C2=CC=CS2)=C1N
InChIKey
InChIKey=OJNDEZGJNYXGIT-UHFFFAOYSA-N
Formula
C18H21N3O6S
Mass
407.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Keto acids and derivatives
- Subclass Gamma-keto acids and derivatives
-
Class
Keto acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Keto acids and derivatives
Subclass
Gamma-keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Gamma-keto acids and derivatives
Alternative Parents
Aryl alkyl ketones Pyrimidones Alpha-acyloxy ketones Aminopyrimidines and derivatives Fatty acid esters Hydropyrimidines Vinylogous amides Thiophenes Heteroaromatic compounds Ureas Amino acids and derivatives Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Gamma-keto acid - Aryl ketone - Aryl alkyl ketone - Aminopyrimidine - Fatty acid ester - Pyrimidone - Alpha-acyloxy ketone - Hydropyrimidine - Pyrimidine - Fatty acyl - Vinylogous amide - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Ketone - Lactam - Amino acid or derivatives - Urea - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxide - Organic oxygen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.
External Descriptors
Not available