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Deoxybrevianamide e

  • Formula: C21H25N3O2

  • Molecular weight: 351.40

  • Smiles: CC(C)(C=C)C1=C(C2=CC=CC=C2N1)CC3C(=O)N4CCCC4C(=O)N3

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Deoxybrevianamide e

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

  • Mycotoxin name: Deoxybrevianamide e

  • First synonym: Deoxybrevianamide e

  • Synonyms: Deoxybrevianamide E,34610-68-9,UNII-GJ20E60VAQ,GJ20E60VAQ,Desoxybrevianamide E,(3S,8aS)-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione,cyclo-2-(1,1-dimethylallyl)-L-tryptophyl-L-proline,cyclo-L-prolyl-2-(1,1-dimethylallyl)-L-tryptophan,L-Prolyl-2-(1,1-dimethylallyl)-L-tryptophan anhydride,(3S,8aS)-3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione,CHEBI:72948,DTXSID60956110,ZINC5355881,NSC789233,NSC-789233,Pyrrolo(1,2-a)pyrazine-1,4-dione, 3-((2-(1,1-dimethyl-2-propen-1-yl)-1H-indol-3-yl)methyl)hexahydro-, (3S,8aS)-,C20636,Q27140204,(3S,8aS)-3-[[2-(1,1-dimethylallyl)-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione,1-Hydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-4(3H)-one

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Structure

  • Smiles: CC(C)(C=C)C1=C(C2=CC=CC=C2N1)CC3C(=O)N4CCCC4C(=O)N3

  • Isomeric smiles: CC(C)(C=C)C1=C(C2=CC=CC=C2N1)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3

  • Inchi: InChI=1S/C21H25N3O2/c1-4-21(2,3)18-14(13-8-5-6-9-15(13)22-18)12-16-20(26)24-11-7-10-17(24)19(25)23-16/h4-6,8-9,16-17,22H,1,7,10-12H2,2-3H3,(H,23,25)/t16-,17-/m0/s1

  • Inchikey: KUGNSEAHJVSMAJ-IRXDYDNUSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H25N3O2

  • Molecular weight: 351.40

  • Monoisotopic mass: 351.19467705

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