Structure Information
Structure

Compound Identification

SMILES

O[C@@]([C@H]1C=COC=C2C[C@@]34SS[C@]5(CC6=CC=C[C@H](OC(=O)CC7=CC=CC=C7)[C@H]6N5C3=O)C(=O)N4[C@@H]12)(C([O-])=O)C1=CC=CC=C1

InChIKey

InChIKey=PTPOULMGEVPCDG-OQWPDREESA-M

Formula

C34H27N2O8S2

Mass

655.72

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazinanes

Subclass

Piperazines

Intermediate Tree Nodes

Dioxopiperazines - 2,5-dioxopiperazines - Thiodioxopiperazines

Direct Parent

Epipolythiodioxopiperazines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid or derivatives - Epipolythiodioxopiperazine - Indole or derivatives - N-alkylpiperazine - Monocyclic benzene moiety - Dithiazinane - Benzenoid - Dicarboxylic acid or derivatives - Pyrrolidine - Tertiary alcohol - Tertiary carboxylic acid amide - Carboxylic acid ester - Carboxylic acid salt - Tertiary amine - Lactam - Organic disulfide - Amino acid or derivatives - Amino acid - Carboxamide group - Carboxylic acid - Carboxylic acid derivative - Azacycle - Oxacycle - Alcohol - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Organic anion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as epipolythiodioxopiperazines. These are compounds containing an epipolythiodioxopiperazine moiety, which consists of a 2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione ring system. One distinct characteristics of Epipolythiodioxopiperazines is the presence of unique di- or polysulfide bridges.

External Descriptors

Not available

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