Mrv1572011171518192D 60 63 0 0 1 0 999 V2000 0.9931 -6.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4046 -6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 6.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3893 6.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8753 -3.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3016 4.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5146 -5.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5298 5.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7695 -4.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7847 4.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1007 -1.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0553 -0.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0854 1.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3842 -1.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5402 -0.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3994 1.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5554 0.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6896 -5.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7048 5.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5146 -2.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5298 2.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2084 -6.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2237 5.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2348 -0.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2046 -1.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2199 1.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6896 -2.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7048 2.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1021 -4.4540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1173 4.4071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0369 -5.2360 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0521 5.1891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1021 -3.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1173 3.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -4.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6652 4.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9191 -4.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9039 4.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7695 -3.1440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7847 3.0972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4346 -3.1440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4499 3.0972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7476 -4.9810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7324 4.9342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4346 -4.9389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4499 4.8920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4785 -3.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4937 3.8301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 -3.6220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2908 3.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7038 -3.9191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6885 3.8723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8407 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -8.2450 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8371 -4.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8524 4.0326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8215 -5.4909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8368 5.4441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 15 11 1 0 0 0 0 16 12 2 0 0 0 0 17 13 1 0 0 0 0 18 14 2 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 23 1 1 0 0 0 0 23 2 1 0 0 0 0 24 3 1 0 0 0 0 24 4 1 0 0 0 0 25 11 2 0 0 0 0 25 12 1 0 0 0 0 26 13 2 0 0 0 0 26 14 1 0 0 0 0 26 25 1 0 0 0 0 27 15 2 0 0 0 0 27 16 1 0 0 0 0 28 17 2 0 0 0 0 28 18 1 0 0 0 0 29 21 2 0 0 0 0 29 27 1 0 0 0 0 30 22 2 0 0 0 0 30 28 1 0 0 0 0 31 9 1 0 0 0 0 32 10 1 0 0 0 0 33 23 1 0 0 0 0 34 24 1 0 0 0 0 31 35 1 6 0 0 0 32 36 1 6 0 0 0 37 33 1 0 0 0 0 38 34 1 0 0 0 0 41 21 1 0 0 0 0 41 35 2 0 0 0 0 42 22 1 0 0 0 0 42 36 2 0 0 0 0 43 29 1 0 0 0 0 43 35 1 0 0 0 0 44 30 1 0 0 0 0 44 36 1 0 0 0 0 33 45 1 1 0 0 0 45 39 2 0 0 0 0 34 46 1 1 0 0 0 46 40 2 0 0 0 0 47 19 1 0 0 0 0 47 31 1 0 0 0 0 47 37 1 0 0 0 0 48 20 1 0 0 0 0 48 32 1 0 0 0 0 48 38 1 0 0 0 0 49 37 2 0 0 0 0 50 38 2 0 0 0 0 39 51 1 4 0 0 0 40 52 1 4 0 0 0 53 5 1 0 0 0 0 53 39 1 0 0 0 0 54 6 1 0 0 0 0 54 40 1 0 0 0 0 31 57 1 1 0 0 0 32 58 1 1 0 0 0 33 59 1 1 0 0 0 34 60 1 1 0 0 0 M END > DBSALT001166 > drugbank > Cl.Cl.[H][C@](N=C(O)OC)(C(C)C)C(=O)N1CCC[C@@]1([H])C1=NC=C(N1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CN=C(N1)[C@]1([H])CCCN1C(=O)[C@@]([H])(N=C(O)OC)C(C)C > InChI=1S/C40H50N8O6.2ClH/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);2*1H/t31-,32-,33-,34-;;/m0../s1 > BVZLLUDATICXCI-JMSCDMLISA-N > C40H52Cl2N8O6 > 811.81 > 810.3386868 > 10 > 108 > 83.49606852896719 > 0 > 4 > 0 > 0 > (2S)-2-{[hydroxy(methoxy)methylidene]amino}-1-[(2S)-2-[5-(4'-{2-[(2S)-1-[(2S)-2-{[hydroxy(methoxy)methylidene]amino}-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl}-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methylbutan-1-one dihydrochloride > 4.74 > 3.4698129879067263 > -5.42 > 1 > 6 > 0 > 4.40491571855505 > 3.821012651935671 > 6.094773280589709 > 181.61999999999995 > 203.4 > 13 > 0 > 2.83e-03 g/l > (2S)-2-{[hydroxy(methoxy)methylidene]amino}-1-[(2S)-2-[4-(4'-{2-[(2S)-1-[(2S)-2-{[hydroxy(methoxy)methylidene]amino}-3-methylbutanoyl]pyrrolidin-2-yl]-3H-imidazol-4-yl}-[1,1'-biphenyl]-4-yl)-3H-imidazol-2-yl]pyrrolidin-1-yl]-3-methylbutan-1-one dihydrochloride > 0 > DBSALT001166 > Daclatasvir dihydrochloride > DB09102 > Daclatasvir > 1009119-65-6 > 50ZO25C11D $$$$