methyl {(2RS)-1-[(2RS)-2-{5-[5-(4-{2-[(2RS)-1-{(2RS)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}phenyl)thiophen-2-yl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-ox obutan-2-yl}carbamate--hydrogen chloride (1/2)
Chemical Structure Depiction of
methyl {(2RS)-1-[(2RS)-2-{5-[5-(4-{2-[(2RS)-1-{(2RS)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}phenyl)thiophen-2-yl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-ox obutan-2-yl}carbamate--hydrogen chloride (1/2)
methyl {(2RS)-1-[(2RS)-2-{5-[5-(4-{2-[(2RS)-1-{(2RS)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}phenyl)thiophen-2-yl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-ox obutan-2-yl}carbamate--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | H027-4010C |
| Compound Name: | methyl {(2RS)-1-[(2RS)-2-{5-[5-(4-{2-[(2RS)-1-{(2RS)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}phenyl)thiophen-2-yl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-ox obutan-2-yl}carbamate--hydrogen chloride (1/2) |
| Molecular Weight: | 817.84 |
| Molecular Formula: | C38 H48 N8 O6 S |
| Salt: | 2HCl |
| Smiles: | CC(C)[C@@H](C(N1CCC[C@H]1c1ncc(c2ccc(cc2)c2ccc(c3cnc([C@@H]4CCCN4C([C@H](C(C)C)NC(=O)OC)=O)[nH]3)s2)[nH]1)=O)NC(=O)OC |
| Stereo: | ABSOLUTE |
| logP: | 4.4555 |
| logD: | 4.3038 |
| logSw: | -4.0434 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 139.158 |
| InChI Key: | DBRMBKQTCROUKP-KOUWNTBJSA-N |