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Apicidin d2

  • Formula: C34H51N5O6

  • Molecular weight: 625.80

  • Smiles: CCC(C)C1C(=O)N2CCCCC2C(=O)NC(C(=O)NC(C(=O)N1)CC3=CN(C4=CC=CC=C43)OC)CCCCCC(CC)O

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Apicidin d2

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

Names

  • Mycotoxin name: Apicidin d2

  • First synonym: Apicidin d2

  • Synonyms: apicidin D2,177562-78-6,SCHEMBL19586860,ZINC137254053,(3S,6S,9S,12R)-3-[(2S)-butan-2-yl]-9-[(6S)-6-hydroxyoctyl]-6-[(1-methoxyindol-3-yl)methyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone

Identifiers / External links

Structure

  • Smiles: CCC(C)C1C(=O)N2CCCCC2C(=O)NC(C(=O)NC(C(=O)N1)CC3=CN(C4=CC=CC=C43)OC)CCCCCC(CC)O

  • Isomeric smiles: CC[C@H](C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC3=CN(C4=CC=CC=C43)OC)CCCCC[C@H](CC)O

  • Inchi: InChI=1S/C34H51N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,24,26-27,29-30,40H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,24-,26-,27-,29+,30-/m0/s1

  • Inchikey: XSKZVBPNWYDMNT-XBFFTOSTSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C34H51N5O6

  • Molecular weight: 625.80

  • Monoisotopic mass: 625.38393436

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