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Miyakamide b2

  • Formula: C31H32N4O4

  • Molecular weight: 524.60

  • Smiles: CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)N(C)C(CC2=CC=CC=C2)C(=O)NC=CC3=CNC4=CC=CC=C43

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Miyakamide b2

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

Names

  • Mycotoxin name: Miyakamide b2

  • First synonym: Miyakamide b2

  • Synonyms: Miyakamide B2

Identifiers / External links

Structure

  • Smiles: CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)N(C)C(CC2=CC=CC=C2)C(=O)NC=CC3=CNC4=CC=CC=C43

  • Isomeric smiles: CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N(C)[C@@H](CC2=CC=CC=C2)C(=O)N/C=C/C3=CNC4=CC=CC=C43

  • Inchi: InChI=1S/C31H32N4O4/c1-21(36)34-28(18-23-12-14-25(37)15-13-23)31(39)35(2)29(19-22-8-4-3-5-9-22)30(38)32-17-16-24-20-33-27-11-7-6-10-26(24)27/h3-17,20,28-29,33,37H,18-19H2,1-2H3,(H,32,38)(H,34,36)/b17-16+/t28-,29-/m0/s1

  • Inchikey: FDKBLSNCAOHWNC-RWBSXZSISA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C31H32N4O4

  • Molecular weight: 524.60

  • Monoisotopic mass: 524.24235551

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