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Paecilodepsipeptide b

  • Formula: C40H49N5O10

  • Molecular weight: 759.80

  • Smiles: CC(C(=O)NC(CC1=CC=C(C=C1)OCC=C(C)C)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)CNC(=O)C(C)NC(=O)C(CC3=CC=CC=C3)O

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Paecilodepsipeptide b

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

Names

  • Mycotoxin name: Paecilodepsipeptide b

  • First synonym: Paecilodepsipeptide b

  • Synonyms: paecilodepsipeptide B,CHEMBL224244

Identifiers / External links

Structure

  • Smiles: CC(C(=O)NC(CC1=CC=C(C=C1)OCC=C(C)C)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)CNC(=O)C(C)NC(=O)C(CC3=CC=CC=C3)O

  • Isomeric smiles: C[C@H](C(=O)N[C@H](CC1=CC=C(C=C1)OCC=C(C)C)C(=O)O)NC(=O)[C@@H](CC2=CC=C(C=C2)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC3=CC=CC=C3)O

  • Inchi: InChI=1S/C40H49N5O10/c1-24(2)18-19-55-31-16-12-29(13-17-31)21-33(40(53)54)45-37(50)26(4)42-38(51)32(20-28-10-14-30(46)15-11-28)44-35(48)23-41-36(49)25(3)43-39(52)34(47)22-27-8-6-5-7-9-27/h5-18,25-26,32-34,46-47H,19-23H2,1-4H3,(H,41,49)(H,42,51)(H,43,52)(H,44,48)(H,45,50)(H,53,54)/t25-,26+,32+,33+,34-/m0/s1

  • Inchikey: BRRIQKRUEWKTLZ-ZIWQVPDVSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C40H49N5O10

  • Molecular weight: 759.80

  • Monoisotopic mass: 759.34794278

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