| Synonyms |
GS5816; GS-5816; GS 5816; Velpatasvir; methyl ((R)-2-((2S,4S)-2-(5-(2-((2S,5S)-1-((methoxycarbonyl)-L-valyl)-5-methylpyrrolidin-2-yl)-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-9-yl)-1H-imidazol-2-yl)-4-(methoxymethyl)pyrrolidin-1-yl)-2-oxo-1-phenylethyl)carbamate |
| IUPAC Name |
methyl N-[(1R)-2-[(2S,4S)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate |
| Molecular Weight |
883.01 |
| Molecular Formula |
C49H54N8O8 |
| Canonical SMILES |
CC1CCC(N1C(=O)C(C(C)C)NC(=O)OC)C2=NC3=C(N2)C=CC4=CC5=C(C=C43)OCC6=C5C=CC(=C6)C7=CN=C(N7)C8CC(CN8C(=O)C(C9=CC=CC=C9)NC(=O)OC)COC |
| InChI |
InChI=1S/C49H54N8O8/c1-26(2)41(54-48(60)63-5)47(59)57-27(3)12-17-38(57)45-51-36-16-14-30-20-35-33-15-13-31(19-32(33)25-65-40(35)21-34(30)43(36)53-45)37-22-50-44(52-37)39-18-28(24-62-4)23-56(39)46(58)42(55-49(61)64-6)29-10-8-7-9-11-29/h7-11,13-16,19-22,26-28,38-39,41-42H,12,17-18,23-25H2,1-6H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t27-,28-,38-,39-,41-,42+/m0/s1 |
| InChIKey |
FHCUMDQMBHQXKK-CDIODLITSA-N |
| Purity |
>98% |
| Density |
1.3±0.1 g/cm3 |
| Solubility |
Soluble in DMSO. |
| Appearance |
White to Off-white Solid |
| Application |
Antiviral Agents |
| Storage |
Store at -20°C |
| Complexity |
1690 |
| Exact Mass |
882.40646071 |
| Index Of Refraction |
1.643 |
| PSA |
193.10000 |
| Target |
HCV; SARS-CoV |
| XLogP3-AA |
6.2 |
![{PARAM:[Name]}()](https://resource.bocsci.com/structure/1377049-84-7.gif)
