methyl [(2RS)-1-{(2RS)-2-[5-(4'-{2-[(2RS)-1-{(3RS)-3-[(methoxycarbonyl)amino]oxolane-3-carbonyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-3-methyl-1-oxo butan-2-yl]carbamate--hydrogen chloride (1/2)
Chemical Structure Depiction of
methyl [(2RS)-1-{(2RS)-2-[5-(4'-{2-[(2RS)-1-{(3RS)-3-[(methoxycarbonyl)amino]oxolane-3-carbonyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-3-methyl-1-oxo butan-2-yl]carbamate--hydrogen chloride (1/2)
methyl [(2RS)-1-{(2RS)-2-[5-(4'-{2-[(2RS)-1-{(3RS)-3-[(methoxycarbonyl)amino]oxolane-3-carbonyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-3-methyl-1-oxo butan-2-yl]carbamate--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | H027-4043C |
| Compound Name: | methyl [(2RS)-1-{(2RS)-2-[5-(4'-{2-[(2RS)-1-{(3RS)-3-[(methoxycarbonyl)amino]oxolane-3-carbonyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-3-methyl-1-oxo butan-2-yl]carbamate--hydrogen chloride (1/2) |
| Molecular Weight: | 825.79 |
| Molecular Formula: | C40 H48 N8 O7 |
| Salt: | 2HCl |
| Smiles: | CC(C)[C@@H](C(N1CCC[C@H]1c1ncc(c2ccc(cc2)c2ccc(cc2)c2cnc([C@@H]3CCCN3C([C@@]3(CCOC3)NC(=O)OC)=O)[nH]2)[nH]1)=O)NC(=O)OC |
| Stereo: | ABSOLUTE |
| logP: | 3.5611 |
| logD: | 3.537 |
| logSw: | -3.5469 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 147.052 |
| InChI Key: | MCPGRIUNKPYQNM-PBLJQIKFSA-N |