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Cladoamide B

  • Formula: C39H53N5O7

  • Molecular weight: 703.90

  • Smiles: CC(C)CC1C(=O)N2CCCC2C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)O1)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C)C(C)C

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Cladoamide B

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

Names

  • Mycotoxin name: Cladoamide B

  • First synonym: None

  • Synonyms: Cladoamide B,CHEMBL4857626

Identifiers / External links

Structure

  • Smiles: CC(C)CC1C(=O)N2CCCC2C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)O1)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C)C(C)C

  • Isomeric smiles: CC(C)C[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)NCCC(=O)O1)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C)C(C)C

  • Inchi: InChI=1S/C39H53N5O7/c1-25(2)22-32-38(49)44-21-13-18-29(44)36(47)41-34(26(3)4)39(50)43(6)31(24-28-16-11-8-12-17-28)37(48)42(5)30(23-27-14-9-7-10-15-27)35(46)40-20-19-33(45)51-32/h7-12,14-17,25-26,29-32,34H,13,18-24H2,1-6H3,(H,40,46)(H,41,47)/t29-,30-,31-,32-,34-/m0/s1

  • Inchikey: JYVADNAOZPJLOT-JOBLXHLTSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C39H53N5O7

  • Molecular weight: 703.90

  • Monoisotopic mass: 703.39449905

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