Structure Information
Structure

Compound Identification

SMILES

[H][C@]12N3C(=O)[C@@]45CC6=COC=C[C@]([H])(OC(C)=O)[C@]6([H])N4C(=O)[C@]3(CC1=COC=C[C@@]2([H])OC(C)=O)SS5

InChIKey

InChIKey=OHTZNUUGYPDWEB-MVCAKEEGSA-N

Formula

C22H20N2O8S2

Mass

504.53

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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

Aliphatic heteropolycyclic compounds

Substituents

Alpha-amino acid or derivatives - Epipolythiodioxopiperazine - N-alkylpiperazine - Dicarboxylic acid or derivatives - Dithiazinane - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Carboxylic acid ester - Lactam - Organic disulfide - Carboxylic acid derivative - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aliphatic 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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