methyl {(2RS)-1-[(2SR)-2-{5-[4-(4-{2-[(2SR)-1-{(2RS)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1,3-oxazol-5-yl}cyclohexyl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobut an-2-yl}carbamate
Chemical Structure Depiction of
methyl {(2RS)-1-[(2SR)-2-{5-[4-(4-{2-[(2SR)-1-{(2RS)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1,3-oxazol-5-yl}cyclohexyl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobut an-2-yl}carbamate
methyl {(2RS)-1-[(2SR)-2-{5-[4-(4-{2-[(2SR)-1-{(2RS)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1,3-oxazol-5-yl}cyclohexyl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobut an-2-yl}carbamate
Compound characteristics
| Compound ID: | H027-4005B |
| Compound Name: | methyl {(2RS)-1-[(2SR)-2-{5-[4-(4-{2-[(2SR)-1-{(2RS)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1,3-oxazol-5-yl}cyclohexyl)phenyl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobut an-2-yl}carbamate |
| Molecular Weight: | 745.92 |
| Molecular Formula: | C40 H55 N7 O7 |
| Smiles: | CC(C)[C@@H](C(N1CCC[C@@H]1c1ncc(c2ccc(cc2)[C@H]2CC[C@@H](CC2)c2cnc([C@H]3CCCN3C([C@H](C(C)C)NC(=O)OC)=O)o2)[nH]1)=O)NC(=O)OC |
| Stereo: | ABSOLUTE |
| logP: | 5.7621 |
| logD: | 5.7381 |
| logSw: | -5.3209 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 136.215 |
| InChI Key: | AKUPNBPBMRGBRN-MKMXNCGASA-N |