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Harzianin pcu 4

  • Formula: C68H117N15O17

  • Molecular weight: 1416.70

  • Smiles: CCC(C)C(C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N2CCCC2C(=O)NC(CO)C(C)C)NC(=O)C(CO)NC(=O)C3CCCN3C(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C

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Harzianin pcu 4

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

Names

  • Mycotoxin name: Harzianin pcu 4

  • First synonym: Harzianin pcu 4

  • Synonyms: Harzianin PCu 4

Identifiers / External links

Structure

  • Smiles: CCC(C)C(C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N2CCCC2C(=O)NC(CO)C(C)C)NC(=O)C(CO)NC(=O)C3CCCN3C(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C

  • Isomeric smiles: CCC(C)C(C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N2CCCC2C(=O)NC(CO)C(C)C)NC(=O)C(CO)NC(=O)C3CCCN3C(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C

  • Inchi: InChI=1S/C68H117N15O17/c1-20-39(8)50(75-52(89)45(35-85)72-56(93)47-25-22-30-82(47)61(98)66(14,15)77-53(90)42(32-36(2)3)70-51(88)41(27-28-49(69)87)73-59(96)64(10,11)76-40(9)86)58(95)80-68(18,19)63(100)83-31-23-26-48(83)57(94)79-65(12,13)60(97)74-43(33-37(4)5)54(91)78-67(16,17)62(99)81-29-21-24-46(81)55(92)71-44(34-84)38(6)7/h36-39,41-48,50,84-85H,20-35H2,1-19H3,(H2,69,87)(H,70,88)(H,71,92)(H,72,93)(H,73,96)(H,74,97)(H,75,89)(H,76,86)(H,77,90)(H,78,91)(H,79,94)(H,80,95)

  • Inchikey: JZKMGYBXOYOMDP-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C68H117N15O17

  • Molecular weight: 1416.70

  • Monoisotopic mass: 1415.87518732

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