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Apicidin a

  • Formula: C33H47N5O5

  • Molecular weight: 593.80

  • Smiles: CCC(C)C1C(=O)N2CCCCC2C(=O)NC(C(=O)NC(C(=O)N1)CC3=CNC4=CC=CC=C43)CCCCCC(=O)CC

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Apicidin a

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

Names

  • Mycotoxin name: Apicidin a

  • First synonym: Apicidin a

  • Synonyms: Apicidin A,SCHEMBL19605497

Identifiers / External links

Structure

  • Smiles: CCC(C)C1C(=O)N2CCCCC2C(=O)NC(C(=O)NC(C(=O)N1)CC3=CNC4=CC=CC=C43)CCCCCC(=O)CC

  • Isomeric smiles: CCC(C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC3=CNC4=CC=CC=C43)CCCCCC(=O)CC

  • Inchi: InChI=1S/C33H47N5O5/c1-4-21(3)29-33(43)38-18-12-11-17-28(38)32(42)35-26(16-8-6-7-13-23(39)5-2)30(40)36-27(31(41)37-29)19-22-20-34-25-15-10-9-14-24(22)25/h9-10,14-15,20-21,26-29,34H,4-8,11-13,16-19H2,1-3H3,(H,35,42)(H,36,40)(H,37,41)/t21?,26-,27-,28+,29-/m0/s1

  • Inchikey: BHYPIIUJEQHYIP-FFSUGSTCSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C33H47N5O5

  • Molecular weight: 593.80

  • Monoisotopic mass: 593.35771962

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