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Leucinostatin b

  • Formula: C61H109N11O13

  • Molecular weight: 1204.60

  • Smiles: CCC(C)C=CC(=O)N1CC(CC1C(=O)NC(CC(C)CC(CC(=O)CC)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)CNC)C

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Leucinostatin b

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

Names

  • Mycotoxin name: Leucinostatin b

  • First synonym: Leucinostatin b

  • Synonyms: Leucinostatin B,76663-52-0,Paecilotoxin B,Leucinostatin B M+H reference compound,Leucinostatin A, 9-(N-(1-methyl-2-(methylamino)ethyl)-beta-alaninamide)-, (9(S))-

Identifiers / External links

Structure

  • Smiles: CCC(C)C=CC(=O)N1CC(CC1C(=O)NC(CC(C)CC(CC(=O)CC)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)CNC)C

  • Isomeric smiles: CCC(C)/C=C/C(=O)N1CC(CC1C(=O)NC(CC(C)CC(CC(=O)CC)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)CNC)C

  • Inchi: InChI=1S/C61H109N11O13/c1-20-37(9)22-23-48(76)72-33-39(11)30-46(72)54(81)66-45(29-38(10)28-42(74)31-41(73)21-2)52(79)68-49(50(77)36(7)8)55(82)70-60(15,16)57(84)67-43(26-34(3)4)51(78)65-44(27-35(5)6)53(80)69-61(17,18)58(85)71-59(13,14)56(83)63-25-24-47(75)64-40(12)32-62-19/h22-23,34-40,42-46,49-50,62,74,77H,20-21,24-33H2,1-19H3,(H,63,83)(H,64,75)(H,65,78)(H,66,81)(H,67,84)(H,68,79)(H,69,80)(H,70,82)(H,71,85)/b23-22+

  • Inchikey: JLDCSWRYRVBFRU-GHVJWSGMSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C61H109N11O13

  • Molecular weight: 1204.60

  • Monoisotopic mass: 1203.82063257

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