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MK1688

  • Formula: C36H63N3O9

  • Molecular weight: 681.90

  • Smiles: CC(C)CC1C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)O1)C(C)C)C)CC(C)C)C(C)C)C)CC(C)C)C(C)C)C

  • Type: Cyclodepsipeptide

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MK1688

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

Names

  • Mycotoxin name: MK1688

  • First synonym: None

  • Synonyms: MK1688,(3S,6R,9S,12R,15S,18R)-6,12,18-Triisobutyl-3,9,15-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

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Structure

  • Smiles: CC(C)CC1C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)O1)C(C)C)C)CC(C)C)C(C)C)C)CC(C)C)C(C)C)C

  • Isomeric smiles: CC(C)C[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)C(C)C)C)CC(C)C)C(C)C)C)CC(C)C)C(C)C)C

  • Inchi: InChI=1S/C36H63N3O9/c1-19(2)16-25-31(40)37(13)29(23(9)10)35(44)47-27(18-21(5)6)33(42)39(15)30(24(11)12)36(45)48-26(17-20(3)4)32(41)38(14)28(22(7)8)34(43)46-25/h19-30H,16-18H2,1-15H3/t25-,26-,27-,28+,29+,30+/m1/s1

  • Inchikey: MOIHBUDRMOLCQZ-OKXKEXSSSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C36H63N3O9

  • Molecular weight: 681.90

  • Monoisotopic mass: 681.4564306

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