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Paecilodepsipeptide a

  • Formula: C40H47N5O9

  • Molecular weight: 741.80

  • Smiles: CC1C(=O)NC(C(=O)OC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)C)CC3=CC=CC=C3)CC4=CC=C(C=C4)OCC=C(C)C

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Paecilodepsipeptide a

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

Names

  • Mycotoxin name: Paecilodepsipeptide a

  • First synonym: Paecilodepsipeptide a

  • Synonyms: paecilodepsipeptide A,CHEMBL224345

Identifiers / External links

Structure

  • Smiles: CC1C(=O)NC(C(=O)OC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)C)CC3=CC=CC=C3)CC4=CC=C(C=C4)OCC=C(C)C

  • Isomeric smiles: C[C@@H]1C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N1)CC2=CC=C(C=C2)O)C)CC3=CC=CC=C3)CC4=CC=C(C=C4)OCC=C(C)C

  • Inchi: InChI=1S/C40H47N5O9/c1-24(2)18-19-53-31-16-12-29(13-17-31)21-33-40(52)54-34(22-27-8-6-5-7-9-27)39(51)43-25(3)36(48)41-23-35(47)44-32(20-28-10-14-30(46)15-11-28)38(50)42-26(4)37(49)45-33/h5-18,25-26,32-34,46H,19-23H2,1-4H3,(H,41,48)(H,42,50)(H,43,51)(H,44,47)(H,45,49)/t25-,26+,32+,33+,34-/m0/s1

  • Inchikey: JNXJCUUDHZAFNN-ZIWQVPDVSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C40H47N5O9

  • Molecular weight: 741.80

  • Monoisotopic mass: 741.33737809

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