Compound Identification
SMILES
CCNCCCC[C@@H](NC1CSC2=CC=CC=C2N(CC(O)=O)C1=O)C(O)=O
InChIKey
InChIKey=KDEXZKRSMVSTLL-KWCCSABGSA-N
Formula
C19H27N3O5S
Mass
409.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazepines
Alternative Parents
D-alpha-amino acids Medium-chain fatty acids Alkylarylthioethers Amino fatty acids Heterocyclic fatty acids Benzenoids Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Amino acids Lactams Azacyclic compounds Carboxylic acids Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Alpha-amino acid - Alpha-amino acid or derivatives - D-alpha-amino acid - Aryl thioether - Medium-chain fatty acid - Amino fatty acid - Heterocyclic fatty acid - Alkylarylthioether - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Lactam - Azacycle - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Thioether - Organic nitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazepines. These are organic compounds containing a benzene fused to a thiazepine ring (a seven-membered ring with a nitrogen atom and a sulfur atom replacing two carbon atoms).
External Descriptors
Not available