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Brevianamide d

  • Formula: C21H23N3O3

  • Molecular weight: 365.40

  • Smiles: CC(C)C1CC2(C(=O)N3C1(CCC3)C(=O)N2)C=C4C(=O)C5=CC=CC=C5N4

  • Type: Indole alkaloid (diketopiperazine)

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Brevianamide d

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

Names

  • Mycotoxin name: Brevianamide d

  • First synonym: Brevianamide d

  • Synonyms: Brevianamide D,6H-3,8a-Ethanopyrrolo(1,2-a)pyrazine-1,4-dione, 3-((1,3-dihydro-3-oxo-2H-indol-2-ylidene)methyl)tetrahydro-10-(1-methylethyl)-, (3S-(3alpha(E),8abeta,10R*))-

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Structure

  • Smiles: CC(C)C1CC2(C(=O)N3C1(CCC3)C(=O)N2)C=C4C(=O)C5=CC=CC=C5N4

  • Isomeric smiles: CC(C)[C@@H]1CC2(C(=O)N3C1(CCC3)C(=O)N2)/C=C/4\C(=O)C5=CC=CC=C5N4

  • Inchi: InChI=1S/C21H23N3O3/c1-12(2)14-10-20(11-16-17(25)13-6-3-4-7-15(13)22-16)19(27)24-9-5-8-21(14,24)18(26)23-20/h3-4,6-7,11-12,14,22H,5,8-10H2,1-2H3,(H,23,26)/b16-11+/t14-,20?,21?/m0/s1

  • Inchikey: VUYPQWOUMOQTJW-PBPZTOGNSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H23N3O3

  • Molecular weight: 365.40

  • Monoisotopic mass: 365.1739416

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