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Eujavanicin a

  • Formula: C55H93N9O15

  • Molecular weight: 1120.40

  • Smiles: CCC(C)C1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)OC(C(=O)N2CCCCC2C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)CC)C)CC(=O)O)C)C(C)C)C(C)C)C)C)CC(C)C)C(C)C)C)CC(=O)O

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Eujavanicin a

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

Names

  • Mycotoxin name: Eujavanicin a

  • First synonym: Eujavanicin a

  • Synonyms: eujavanicin A,CHEMBL510550

Identifiers / External links

Structure

  • Smiles: CCC(C)C1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)OC(C(=O)N2CCCCC2C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)CC)C)CC(=O)O)C)C(C)C)C(C)C)C)C)CC(C)C)C(C)C)C)CC(=O)O

  • Isomeric smiles: CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N2CCCC[C@H]2C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)[C@@H](C)CC)C)CC(=O)O)C)C(C)C)C(C)C)C)C)CC(C)C)C(C)C)C)CC(=O)O

  • Inchi: InChI=1S/C55H93N9O15/c1-19-32(11)44-48(71)56-35(26-39(65)66)50(73)60(15)42(30(7)8)46(69)57-36(25-28(3)4)55(78)79-34(13)49(72)64-24-22-21-23-37(64)51(74)61(16)43(31(9)10)47(70)58-41(29(5)6)53(76)59(14)38(27-40(67)68)52(75)63(18)45(33(12)20-2)54(77)62(44)17/h28-38,41-45H,19-27H2,1-18H3,(H,56,71)(H,57,69)(H,58,70)(H,65,66)(H,67,68)/t32-,33-,34+,35-,36-,37-,38-,41-,42-,43-,44-,45-/m0/s1

  • Inchikey: ANDYWVPENXNSGK-NHHJTUBUSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C55H93N9O15

  • Molecular weight: 1120.40

  • Monoisotopic mass: 1119.67911329

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