methyl [(2RS)-1-{(2RS)-2-[5-(2~4~-{2-[(2RS)-1-{(2RS,3SR)-3-methoxy-2-[(methoxycarbonyl)amino]butanoyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}[1~1~,2~1~:2~2~,3~1~-terphenyl]-1~4~-yl)-1H-imidazol-2-yl]pyrrol idin-1-yl}-3-methyl-1-oxobutan-2-yl]carbamate
Chemical Structure Depiction of
methyl [(2RS)-1-{(2RS)-2-[5-(2~4~-{2-[(2RS)-1-{(2RS,3SR)-3-methoxy-2-[(methoxycarbonyl)amino]butanoyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}[1~1~,2~1~:2~2~,3~1~-terphenyl]-1~4~-yl)-1H-imidazol-2-yl]pyrrol idin-1-yl}-3-methyl-1-oxobutan-2-yl]carbamate
methyl [(2RS)-1-{(2RS)-2-[5-(2~4~-{2-[(2RS)-1-{(2RS,3SR)-3-methoxy-2-[(methoxycarbonyl)amino]butanoyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}[1~1~,2~1~:2~2~,3~1~-terphenyl]-1~4~-yl)-1H-imidazol-2-yl]pyrrol idin-1-yl}-3-methyl-1-oxobutan-2-yl]carbamate
Compound characteristics
| Compound ID: | H027-4128 |
| Compound Name: | methyl [(2RS)-1-{(2RS)-2-[5-(2~4~-{2-[(2RS)-1-{(2RS,3SR)-3-methoxy-2-[(methoxycarbonyl)amino]butanoyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}[1~1~,2~1~:2~2~,3~1~-terphenyl]-1~4~-yl)-1H-imidazol-2-yl]pyrrol idin-1-yl}-3-methyl-1-oxobutan-2-yl]carbamate |
| Molecular Weight: | 830.99 |
| Molecular Formula: | C46 H54 N8 O7 |
| Smiles: | CC(C)[C@@H](C(N1CCC[C@H]1c1ncc(c2ccc(cc2)c2ccc(cc2c2ccccc2)c2cnc([C@@H]3CCCN3C([C@H]([C@@H](C)OC)NC(=O)OC)=O)[nH]2)[nH]1)=O)NC(=O)OC |
| Stereo: | ABSOLUTE |
| logP: | 5.2946 |
| logD: | 5.2706 |
| logSw: | -5.1437 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 145.181 |
| InChI Key: | GCEWMGXSNWKBGN-LWUZZSALSA-N |