Compound Identification
SMILES
CC1OC2(CC3N4C(=O)C5(CO)SSC4(CC3(O)C2OC(C)=O)C(=O)N5C)C(=O)C1(C)C
InChIKey
InChIKey=KTAIGLOGMSQPCG-UHFFFAOYSA-N
Formula
C20H26N2O8S2
Mass
486.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazinanes
-
Subclass
Piperazines
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Level 5
Dioxopiperazines
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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-methylpiperazines Dithiazinanes Furanones Tertiary alcohols Pyrrolidines Tetrahydrofurans Tertiary carboxylic acid amides Cyclic alcohols and derivatives Carboxylic acid esters Ketones Lactams Organic disulfides Oxacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Primary alcohols Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Epipolythiodioxopiperazine - N-alkylpiperazine - N-methylpiperazine - Dithiazinane - 3-furanone - Cyclic alcohol - Tetrahydrofuran - Tertiary carboxylic acid amide - Tertiary alcohol - Pyrrolidine - Carboxamide group - Carboxylic acid ester - Ketone - Lactam - Organic disulfide - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Primary alcohol - Alcohol - Organooxygen compound - Organonitrogen 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