Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzothiazepines

Alternative Parents

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

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