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cis-Bis(methylthio)silvatin

  • Formula: C20H28N2O3S2

  • Molecular weight: 408.60

  • Smiles: CC(=CCOC1=CC=C(C=C1)CC2(C(=O)N(C(C(=O)N2C)SC)C)SC)C

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cis-Bis(methylthio)silvatin

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: cis-Bis(methylthio)silvatin

  • First synonym: None

  • Synonyms: cis-bis(methylthio)silvatin,(3R,6R)-1,4-dimethyl-3-((4-(3-methylbut-2-enoxy)phenyl)methyl)-3,6-bis(methylsulfanyl)piperazine-2,5-dione,(3R,6R)-1,4-dimethyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-3,6-bis(methylsulfanyl)piperazine-2,5-dione,CHEMBL253544,77053-25-9

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Structure

  • Smiles: CC(=CCOC1=CC=C(C=C1)CC2(C(=O)N(C(C(=O)N2C)SC)C)SC)C

  • Isomeric smiles: CC(=CCOC1=CC=C(C=C1)C[C@]2(C(=O)N([C@@H](C(=O)N2C)SC)C)SC)C

  • Inchi: InChI=1S/C20H28N2O3S2/c1-14(2)11-12-25-16-9-7-15(8-10-16)13-20(27-6)19(24)21(3)18(26-5)17(23)22(20)4/h7-11,18H,12-13H2,1-6H3/t18-,20-/m1/s1

  • Inchikey: XBKBUMFBHNQOLC-UYAOXDASSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H28N2O3S2

  • Molecular weight: 408.60

  • Monoisotopic mass: 408.15413511

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