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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazinanes
-
Subclass
Piperazines
-
Level 5
Dioxopiperazines
-
Level 6
2,5-dioxopiperazines
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Level 7
Thiodioxopiperazines
- Level 8 Epipolythiodioxopiperazines
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Level 7
Thiodioxopiperazines
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Level 6
2,5-dioxopiperazines
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Level 5
Dioxopiperazines
-
Subclass
Piperazines
-
Class
Diazinanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Dioxopiperazines - 2,5-dioxopiperazines - Thiodioxopiperazines
Direct Parent
Epipolythiodioxopiperazines
Alternative Parents
Alpha amino acids and derivatives N-alkylpiperazines Dithiazinanes Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Pyrrolidines Organic disulfides Lactams Carboxylic acid esters Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
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