methyl [(2RS)-1-{(2RS)-2-[5-(2~6~-fluoro-1~4~-{2-[(2RS)-1-{(2RS)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}[1~1~,2~1~:2~2~,3~1~-terphenyl]-2~4~-yl)-1H-imidazol-2-yl ]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2-yl]carbamate--hydrogen chloride (1/2)
Chemical Structure Depiction of
methyl [(2RS)-1-{(2RS)-2-[5-(2~6~-fluoro-1~4~-{2-[(2RS)-1-{(2RS)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}[1~1~,2~1~:2~2~,3~1~-terphenyl]-2~4~-yl)-1H-imidazol-2-yl ]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2-yl]carbamate--hydrogen chloride (1/2)
methyl [(2RS)-1-{(2RS)-2-[5-(2~6~-fluoro-1~4~-{2-[(2RS)-1-{(2RS)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}[1~1~,2~1~:2~2~,3~1~-terphenyl]-2~4~-yl)-1H-imidazol-2-yl ]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2-yl]carbamate--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | H027-4105C |
| Compound Name: | methyl [(2RS)-1-{(2RS)-2-[5-(2~6~-fluoro-1~4~-{2-[(2RS)-1-{(2RS)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}[1~1~,2~1~:2~2~,3~1~-terphenyl]-2~4~-yl)-1H-imidazol-2-yl ]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2-yl]carbamate--hydrogen chloride (1/2) |
| Molecular Weight: | 905.9 |
| Molecular Formula: | C46 H53 F N8 O6 |
| Salt: | 2HCl |
| Smiles: | CC(C)[C@@H](C(N1CCC[C@H]1c1ncc(c2ccc(cc2)c2c(cc(cc2F)c2cnc([C@@H]3CCCN3C([C@H](C(C)C)NC(=O)OC)=O)[nH]2)c2ccccc2)[nH]1)=O)NC(=O)OC |
| Stereo: | ABSOLUTE |
| logP: | 6.3284 |
| logD: | 6.3044 |
| logSw: | -5.4298 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 137.868 |
| InChI Key: | HANQTSZFUBFCEN-HZWDEHNZSA-N |