Mrv1572010301511552D 65 70 0 0 0 0 999 V2000 -0.7218 1.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7218 0.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0206 0.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7219 0.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7219 1.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0206 1.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0206 -0.7425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0206 2.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0206 3.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6806 -1.2376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4331 -2.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3918 -2.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6806 -1.2376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3819 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3819 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0831 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8257 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8257 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0831 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8257 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8257 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1244 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1244 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5269 0.4124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2282 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9295 0.4124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2282 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6307 -0.0826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2908 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0433 1.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2183 1.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6307 -0.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3733 -1.3201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9295 -1.3201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0745 -0.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7758 -1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0745 -0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3733 -2.1451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0745 -2.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7758 -2.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5183 -2.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0745 -3.3826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5269 0.4124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2282 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9295 0.4124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2282 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6307 -0.0826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2908 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0433 1.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2183 1.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6307 -0.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3733 -1.3201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9295 -1.3201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0745 -0.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7758 -1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0745 -0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3733 -2.1451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0745 -2.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7758 -2.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5183 -2.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0745 -3.3826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6938 2.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7351 2.9700 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 3 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 7 13 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 14 19 1 0 0 0 0 13 15 1 6 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 20 25 1 0 0 0 0 10 23 1 1 0 0 0 20 26 1 0 0 0 0 26 27 1 0 0 0 0 28 27 1 1 0 0 0 27 29 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 28 1 0 0 0 0 30 28 1 0 0 0 0 30 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 35 40 1 1 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 41 44 2 0 0 0 0 45 46 1 0 0 0 0 47 46 1 6 0 0 0 46 48 2 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 47 1 0 0 0 0 49 47 1 0 0 0 0 49 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 2 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 54 59 1 6 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 60 63 2 0 0 0 0 45 18 1 0 0 0 0 8 64 1 0 0 0 0 8 65 1 0 0 0 0 M END > DB09296 > drugbank > COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC1=CC=C(C=C1)[C@@H]1CC[C@H](N1C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)C=C1 > InChI=1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63)/t38-,39-,40-,41-,42-,43-/m0/s1 > PIDFDZJZLOTZTM-KHVQSSSXSA-N > C50H67N7O8 > 894.127 > 893.505112145 > 7 > 132 > 99.10302799836532 > 0 > 4 > 0 > 0 > methyl N-[(2S)-1-[(2S)-2-({4-[(2S,5S)-1-(4-tert-butylphenyl)-5-{4-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidine-2-amido]phenyl}pyrrolidin-2-yl]phenyl}carbamoyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate > 5.72 > 7.488872401999999 > -5.67 > 1 > 6 > 0 > 13.179090147853216 > 12.767570619559208 > 2.1553015930084682 > 178.72 > 250.79130000000015 > 16 > 0 > 1.93e-03 g/l > methyl N-[(2S)-1-[(2S)-2-({4-[(2S,5S)-1-(4-tert-butylphenyl)-5-{4-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidine-2-amido]phenyl}pyrrolidin-2-yl]phenyl}carbamoyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate > 0 > DB09296 > approved; investigational > Ombitasvir > dimethyl ([(2S,5S)-1-(4-tert-butylphenyl)pyrrolidine-2,5-diyl]bis{(4,1-phenylene)carbamoyl(2S)pyrrolidine-2,1-diyl[(2S)-3-methyl-1-oxobutane-1,2-diyl]})biscarbamate; Ombitasvir > Holkira Pak; Technivie; Viekira Pak; Viekira XR; Viekirax > Ombitasvir heminonahydrate $$$$