Cladoamide A

  • Formula: C40H55N5O7

  • Molecular weight: 717.90

  • Smiles: CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC(C)C)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C

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Cladoamide A

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

Names

  • Mycotoxin name: Cladoamide A

  • First synonym: None

  • Synonyms: Cladoamide A,CHEMBL4873484

Identifiers / External links

Structure

  • Smiles: CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC(C)C)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C

  • Isomeric smiles: CC[C@H](C)[C@H]1C(=O)N([C@H](C(=O)N([C@H](C(=O)NCCC(=O)O[C@H](C(=O)N2CCC[C@H]2C(=O)N1)CC(C)C)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C

  • Inchi: InChI=1S/C40H55N5O7/c1-7-27(4)35-40(51)44(6)32(25-29-17-12-9-13-18-29)38(49)43(5)31(24-28-15-10-8-11-16-28)36(47)41-21-20-34(46)52-33(23-26(2)3)39(50)45-22-14-19-30(45)37(48)42-35/h8-13,15-18,26-27,30-33,35H,7,14,19-25H2,1-6H3,(H,41,47)(H,42,48)/t27-,30-,31-,32-,33-,35-/m0/s1

  • Inchikey: VGZFQHMOYAYVJC-XTJOJCFRSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C40H55N5O7

  • Molecular weight: 717.90

  • Monoisotopic mass: 717.41014911

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