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Okaramine n

  • Formula: C32H34N4O3

  • Molecular weight: 522.60

  • Smiles: CC1(C=CN2C(CC3=C1NC4=CC=CC=C34)C(=O)N5C(C2=O)CC6(C5N(C7=CC=CC=C76)C(C)(C)C=C)O)C

  • Type: Cyclopeptide

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Okaramine n

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

  • Mycotoxin name: Okaramine n

  • First synonym: Okaramine n

  • Synonyms: Okaramine N

Identifiers / External links

Structure

  • Smiles: CC1(C=CN2C(CC3=C1NC4=CC=CC=C34)C(=O)N5C(C2=O)CC6(C5N(C7=CC=CC=C76)C(C)(C)C=C)O)C

  • Isomeric smiles: CC1(/C=C\N2[C@@H](CC3=C1NC4=CC=CC=C34)C(=O)N5[C@H](C2=O)C[C@]6([C@@H]5N(C7=CC=CC=C76)C(C)(C)C=C)O)C

  • Inchi: InChI=1S/C32H34N4O3/c1-6-31(4,5)36-23-14-10-8-12-21(23)32(39)18-25-27(37)34-16-15-30(2,3)26-20(19-11-7-9-13-22(19)33-26)17-24(34)28(38)35(25)29(32)36/h6-16,24-25,29,33,39H,1,17-18H2,2-5H3/b16-15-/t24-,25-,29-,32-/m0/s1

  • Inchikey: DRFHLOQDCWUMLI-HTLHSIKDSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C32H34N4O3

  • Molecular weight: 522.60

  • Monoisotopic mass: 522.26309096

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