Palinavir
N-[(2S)-1-[[(2S,3R)-4-[(2S,4R)-2-(tert-butylcarbamoyl)-4-(pyridin-4-ylmethoxy)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide
| Molecular Formula | C41H52N6O5 |
|---|---|
| Molecular Weight | 708.9 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 146.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 708.3999 |
| Heavy Atoms | 52 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 154612-39-2 |
|---|---|
| SMILES | CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN2CCC(CC2C(=O)NC(C)(C)C)OCC3=CC=NC=C3)O)NC(=O)C4=NC5=CC=CC=C5C=C4 |
| InChIKey | RXBWRFDZXRAEJT-SZNOJMITSA-N |
📖 Product Overview
Palinavir (CAS: 154612-39-2) is a chemical compound with molecular formula C41H52N6O5 and molecular weight 708.9 g/mol. Its IUPAC systematic name is N-[(2S)-1-[[(2S,3R)-4-[(2S,4R)-2-(tert-butylcarbamoyl)-4-(pyridin-4-ylmethoxy)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide.
RXBWRFDZXRAEJT-SZNOJMITSA-N.
SMILES: CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN2CCC(CC2C(=O)NC(C)(C)C)OCC3=CC=NC=C3)O)NC(=O)C4=NC5=CC=CC=C5C=C4.
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