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Leucinostatin a succinate

  • Formula: C66H115N11O16

  • Molecular weight: 1318.70

  • Smiles: CCC(C)C=CC(=O)N1CC(CC1C(=O)NC(CC(C)CC(CC(=O)CC)OC(=O)CCC(=O)O)C(=O)NC(C(C(C)C)O)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)CN(C)C)C

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Leucinostatin a succinate

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

Names

  • Mycotoxin name: Leucinostatin a succinate

  • First synonym: None

  • Synonyms:

Identifiers / External links

Structure

  • Smiles: CCC(C)C=CC(=O)N1CC(CC1C(=O)NC(CC(C)CC(CC(=O)CC)OC(=O)CCC(=O)O)C(=O)NC(C(C(C)C)O)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)CN(C)C)C

  • Isomeric smiles: CCC(C)/C=C/C(=O)N1CC(CC1C(=O)NC(CC(C)CC(CC(=O)CC)OC(=O)CCC(=O)O)C(=O)NC(C(C(C)C)O)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)CN(C)C)C

  • Inchi: InChI=1S/C66H115N11O16/c1-21-40(9)23-24-51(80)77-35-42(11)33-49(77)59(88)70-48(32-41(10)31-45(34-44(78)22-2)93-53(83)26-25-52(81)82)57(86)72-54(55(84)39(7)8)60(89)74-65(15,16)62(91)71-46(29-37(3)4)56(85)69-47(30-38(5)6)58(87)73-66(17,18)63(92)75-64(13,14)61(90)67-28-27-50(79)68-43(12)36-76(19)20/h23-24,37-43,45-49,54-55,84H,21-22,25-36H2,1-20H3,(H,67,90)(H,68,79)(H,69,85)(H,70,88)(H,71,91)(H,72,86)(H,73,87)(H,74,89)(H,75,92)(H,81,82)/b24-23+

  • Inchikey: YBCOKVFDCGTBEP-WCWDXBQESA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C66H115N11O16

  • Molecular weight: 1318.70

  • Monoisotopic mass: 1317.85232662

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