methyl [(2RS)-1-{(2RS)-2-[5-(6-{2-[(2RS)-1-{(2RS)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}naphthalen-2-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-(6-{2-[(2RS)-1-{(2RS)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}naphthalen-2-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-(6-{2-[(2RS)-1-{(2RS)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}naphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2 -yl]carbamate--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | H027-4018C |
| Compound Name: | methyl [(2RS)-1-{(2RS)-2-[5-(6-{2-[(2RS)-1-{(2RS)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}naphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2 -yl]carbamate--hydrogen chloride (1/2) |
| Molecular Weight: | 785.77 |
| Molecular Formula: | C38 H48 N8 O6 |
| Salt: | 2HCl |
| Smiles: | CC(C)[C@@H](C(N1CCC[C@H]1c1ncc(c2ccc3cc(ccc3c2)c2cnc([C@@H]3CCCN3C([C@H](C(C)C)NC(=O)OC)=O)[nH]2)[nH]1)=O)NC(=O)OC |
| Stereo: | ABSOLUTE |
| logP: | 3.8991 |
| logD: | 3.8984 |
| logSw: | -3.8838 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 138.139 |
| InChI Key: | ZEFZFHQSWKAECU-WDJCGXDUSA-N |