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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazinanes
-
Subclass
Piperazines
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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
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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 Indoles and derivatives N-alkylpiperazines Benzene and substituted derivatives Dicarboxylic acids and derivatives Dithiazinanes Tertiary carboxylic acid amides Tertiary alcohols Pyrrolidines Tertiary amines Amino acids Carboxylic acid esters Carboxylic acid salts Organic disulfides Lactams Oxacyclic compounds Carboxylic acids Organic oxides Carbonyl compounds Hydrocarbon derivatives Aromatic alcohols Organic anions
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