Mrv0541 11181414552D 54 59 0 0 0 0 999 V2000 2.4682 -0.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4682 -1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1695 -1.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9121 -1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9121 -0.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1695 -0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6134 -0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0573 -0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0573 0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3559 1.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6134 0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7669 -1.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9831 -1.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -2.2230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9831 -2.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7669 -2.6355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7586 1.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5424 0.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0374 1.5311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5424 2.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7586 1.9024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7899 2.9750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5737 3.2225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 4.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7899 4.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2949 3.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2750 2.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2552 1.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9962 3.2108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0160 4.0242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6975 2.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7371 4.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4384 4.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7570 5.2385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1596 4.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6776 1.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4186 3.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7356 -3.6668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0482 -3.9144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0482 -4.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7356 -4.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2306 -4.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7496 -3.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7297 -2.6884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4707 -3.9027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1784 -3.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4841 -4.7276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2053 -5.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9032 -4.7104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2189 -5.9649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6243 -5.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 -2.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8995 -3.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 7 12 1 0 0 0 0 2 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 13 17 1 0 0 0 0 10 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 18 22 1 0 0 0 0 23 21 1 6 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 1 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 34 36 1 0 0 0 0 32 37 1 0 0 0 0 32 38 1 0 0 0 0 39 16 1 6 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 39 43 1 0 0 0 0 44 40 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 46 47 1 1 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 2 0 0 0 0 50 52 1 0 0 0 0 47 53 1 0 0 0 0 47 54 1 0 0 0 0 M END > CHEBI:82977 > daclatasvir > A member of the class of biphenyls that is a potent inhibitor of nonstructural protein 5A and is used (as its hydrochloride salt) for treatment of hepatitis C. > 3 > Dimethyl N,N'-(biphenyl-4,4'-diylbis{1H-imidazole-5,2-diyl-((2S)-pyrrolidine-2,1- diyl)((1S)-1-(1-methylethyl)-2-oxoethane-2,1-diyl)})dicarbamate; BMS790052; BMS-790052; BMS 790052 > methyl [(2S)-1-{(2S)-2-[4-(4'-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-4-yl}biphenyl-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2-yl]carbamate > C40H50N8O6 > 738.87500 > 738.38533 > 0 > COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C > InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1 > FKRSSPOQAMALKA-CUPIEXAXSA-N > 1009119-64-5 > 13077731 > 1009119-64-5 > D10065 > Daclatasvir > 23089758; 23177287; 23403428; 23431163; 23684844; 23931586; 24169581; 24343001; 24372205; 24448487; 24451122; 24451151; 24612030; 24623983; 25080450; 25117173; 25117197; 25311593; 25365735 $$$$