Compound Identification
SMILES
NC(=N)C1=CC=C(CNC(=O)CN2C3=C(SC[C@@H](NS(=O)(=O)CC4=CC=CC=C4)C2=O)C=CC(CCC(O)=O)=C3)C=C1
InChIKey
InChIKey=QRFLSLZVPXHHCL-HSZRJFAPSA-N
Formula
C29H31N5O6S2
Mass
609.72
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
Alpha amino acids and derivatives Alkylarylthioethers Organosulfonamides Organic sulfonamides Benzene and substituted derivatives Tertiary carboxylic acid amides Aminosulfonyl compounds Tertiary amines Secondary carboxylic acid amides Lactams Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carboxamidines Carboximidamides Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Alpha-amino acid or derivatives - Aryl thioether - Alkylarylthioether - Monocyclic benzene moiety - Organic sulfonic acid amide - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Amino acid - Tertiary amine - Thioether - Carboximidamide - Azacycle - Carboxylic acid amidine - Amidine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen 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