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Cyclotryprostatin C

  • Formula: C21H23N3O4

  • Molecular weight: 381.40

  • Smiles: CC(=CC1C2=C(C(C3(N1C(=O)C4CCCN4C3=O)O)O)C5=CC=CC=C5N2)C

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Cyclotryprostatin C

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

  • Mycotoxin name: Cyclotryprostatin C

  • First synonym: None

  • Synonyms: Cyclotryprostatin C,(1R,2S,12S,15S)-1,2-dihydroxy-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4,6,8-tetraene-14,20-dione,(1R,2S,12S,15S)-1,2-dihydroxy-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo(11.7.0.03,11.04,9.015,19)icosa-3(11),4,6,8-tetraene-14,20-dione,CHEBI:199974

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Structure

  • Smiles: CC(=CC1C2=C(C(C3(N1C(=O)C4CCCN4C3=O)O)O)C5=CC=CC=C5N2)C

  • Isomeric smiles: CC(=C[C@H]1C2=C([C@@H]([C@@]3(N1C(=O)[C@@H]4CCCN4C3=O)O)O)C5=CC=CC=C5N2)C

  • Inchi: InChI=1S/C21H23N3O4/c1-11(2)10-15-17-16(12-6-3-4-7-13(12)22-17)18(25)21(28)20(27)23-9-5-8-14(23)19(26)24(15)21/h3-4,6-7,10,14-15,18,22,25,28H,5,8-9H2,1-2H3/t14-,15-,18-,21+/m0/s1

  • Inchikey: CSRLIYIWILNEDP-YAUSHBINSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H23N3O4

  • Molecular weight: 381.40

  • Monoisotopic mass: 381.16885622

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