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Cicadapeptin i

  • Formula: C50H90N10O11

  • Molecular weight: 1007.30

  • Smiles: CCCCCCCCCC(=O)N1CC(CC1C(=O)N2CC(CC2C(=O)NC(C(C)C)C(=O)NC(C)(C)C(=O)NC(CCC(=O)N)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)CN)O)O

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Cicadapeptin i

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

  • Mycotoxin name: Cicadapeptin i

  • First synonym: Cicadapeptin i

  • Synonyms: cicadapeptin I,CHEMBL448005

Identifiers / External links

Structure

  • Smiles: CCCCCCCCCC(=O)N1CC(CC1C(=O)N2CC(CC2C(=O)NC(C(C)C)C(=O)NC(C)(C)C(=O)NC(CCC(=O)N)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)CN)O)O

  • Isomeric smiles: CCCCCCCCCC(=O)N1C[C@@H](C[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)CN)O)O

  • Inchi: InChI=1S/C50H90N10O11/c1-12-13-14-15-16-17-18-19-40(64)59-27-34(62)25-38(59)46(69)60-28-33(61)24-37(60)44(67)56-41(31(6)7)45(68)58-50(10,11)47(70)54-35(20-21-39(52)63)43(66)57-49(8,9)48(71)55-36(23-30(4)5)42(65)53-32(26-51)22-29(2)3/h29-38,41,61-62H,12-28,51H2,1-11H3,(H2,52,63)(H,53,65)(H,54,70)(H,55,71)(H,56,67)(H,57,66)(H,58,68)/t32-,33+,34+,35-,36-,37-,38-,41-/m0/s1

  • Inchikey: NVJOHXLMVTYSFU-DSBHZGLUSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C50H90N10O11

  • Molecular weight: 1007.30

  • Monoisotopic mass: 1006.67905373

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