Aphidicolin-3alpha,18-acetonide

Chemical Information
Ditekiren is a small molecule drug. The usage of the INN stem '-kiren' in the name indicates that Ditekiren is a renin inhibitor. Ditekiren has a monoisotopic molecular weight of 929.57 Da.
| CAS Number | 110386-56-6 |
| PubChem CID | 5464201 |
| IUPAC Name | tert-butyl (2S)-2-[[(2S)-1-[[(2S)-1-[[(4S,5S,7S)-5-hydroxy-2,8-dimethyl-7-[[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]carbamoyl]nonan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate |
| Molecular Formula | C50H75N9O8 |
| Molecular Weight | 930.2 |
| XLogP | 5.6 |
| Topological Polar Surface Area | 228 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 25 |
| Heavy Atom Count | 67 |
| Formal Charge | 0 |
| Complexity | 1600 |
| Property | Value |
|---|---|
| Molecular Weight | 930.2 |
| XLogP3 | 5.6 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 25 |
| Exact Mass | 929.57386038 |
| Monoisotopic Mass | 929.57386038 |
| Topological Polar Surface Area | 228 Ų |
| Heavy Atom Count | 67 |
| Formal Charge | 0 |
| Complexity | 1600 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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