Desmethyldestruxin-B
16-butan-2-yl-10,11-dimethyl-3-(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Also Known As: Desmethyldestruxin-B|3-L-Valinedestruxin B|Destruxin B, 3-L-valine-|MEGxm0_000392|16-butan-2-yl-10,11-dimethyl-3-(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone|N-[N-[(2R)-1-Oxo-2-hydroxy-4-methylpentyl]-L-Pro-L-Ile-L-Val-N-methyl-L-Ala-]-beta-alanine lactone|3-(Butan-2-yl)-1,4,10-trihydroxy-8,9-dimethyl-16-(2-methylpropyl)-6-(propan-2-yl)-3,6,8,9,12,13,19,20,21,21a-decahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-7,14,17(16H)-trione
| Molecular Formula | C29H49N5O7 |
|---|---|
| Molecular Weight | 579.3632 g/mol |
| LogP | 0.9738 |
| Topological Polar Surface Area | 154.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 579.3632 |
| Monoisotopic Mass | 579.3632 |
| Heavy Atoms | 41 |
| Complexity | 984.6022 |
Chemical Identifiers
| CAS Number | 27482-48-0 |
|---|---|
| SMILES | CCC(C)C1C(=O)NC(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC(C)C)C)C)C(C)C |
Product Overview
Desmethyldestruxin-B (CAS 27482-48-0), with molecular formula C29H49N5O7 and molecular weight 579.3632 g/mol. IUPAC: 16-butan-2-yl-10,11-dimethyl-3-(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone.
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