Structure Information
Structure

Compound Identification

SMILES

NC(CC1=CC2=C(SC[C@@H](NS(=O)(=O)CC3=CC=CC=C3)C(=O)N2CC(=O)NCC2=CC=C(C=C2)C(N)=N)C=C1)C(O)=O

InChIKey

InChIKey=ZDAIRPLLDYCTQJ-OZAIVSQSSA-N

Formula

C29H32N6O6S2

Mass

624.73

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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 - Alpha-amino acid or derivatives - Aryl thioether - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - Organic sulfonic acid amide - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Tertiary carboxylic acid amide - Sulfonyl - Amino acid or derivatives - Amino acid - Carboxamide group - Lactam - Secondary carboxylic acid amide - Tertiary amine - Thioether - Carboximidamide - Azacycle - Carboxylic acid amidine - Amidine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Primary aliphatic amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - 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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