Ketcher 01142116162D 1 1.00000 0.00000 0 57 62 0 1 0 999 V2000 11.3869 -30.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8925 -31.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3869 -32.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0363 -30.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0363 -31.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3756 -32.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8700 -32.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8587 -32.9178 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3756 -33.7741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3531 -32.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3418 -32.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8587 -31.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3531 -30.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8700 -31.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3643 -30.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8361 -31.2053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8361 -32.9178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8195 -31.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0250 -30.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1687 -29.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4340 -30.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4811 -31.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1755 -32.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4482 -31.6311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.1097 -32.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0769 -32.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8043 -33.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7385 -32.8950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3824 -31.2199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7056 -32.6895 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 22.3672 -33.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4497 -31.7344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5619 -32.1951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5728 -34.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3074 -33.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1052 -32.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0351 -34.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9831 -34.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9479 -33.8006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3643 -32.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5635 -32.0569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8953 -29.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7956 -27.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7956 -28.7390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9393 -27.2559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8359 -26.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8688 -26.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3745 -26.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0360 -27.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3858 -26.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8913 -26.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3857 -25.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3744 -25.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8914 -27.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3896 -28.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6519 -27.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5709 -28.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 7 9 2 0 0 0 10 8 1 1 0 0 10 11 1 0 0 0 10 12 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 12 15 1 0 0 0 11 16 1 0 0 0 11 17 2 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 16 18 1 0 0 0 16 21 1 0 0 0 18 22 1 1 0 0 22 23 2 0 0 0 22 24 1 0 0 0 25 24 1 1 0 0 25 26 1 6 0 0 25 27 1 0 0 0 26 28 1 0 0 0 26 29 2 0 0 0 28 30 1 0 0 0 30 31 1 0 0 0 30 32 2 0 0 0 30 33 2 0 0 0 34 35 1 0 0 0 31 34 1 0 0 0 35 31 1 0 0 0 36 27 1 0 0 0 25 36 1 0 0 0 27 37 1 6 0 0 37 38 1 0 0 0 27 39 1 1 0 0 10 40 1 6 0 0 18 41 1 6 0 0 1 42 1 0 0 0 43 44 1 0 0 0 43 45 1 0 0 0 46 47 1 0 0 0 48 49 1 0 0 0 45 46 1 0 0 0 45 49 1 0 0 0 50 51 1 0 0 0 51 52 2 0 0 0 52 53 1 0 0 0 47 53 2 0 0 0 48 50 2 0 0 0 47 48 1 0 0 0 50 54 1 0 0 0 54 55 1 0 0 0 55 42 1 0 0 0 43 56 2 0 0 0 20 44 1 6 0 0 20 57 1 1 0 0 M END > CHEBI:136047 > vaniprevir > An azamacrocyclic compound that is a hepatitis C virus (HCV) NS3/4A protease inhibitor which is approved for the treatment of hepatitis C virus infections in Japan. > 3 > MK7009; MK-7009; MK 7009 > (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide > vaniprevirum; vaniprevir; vaniprevir; vaniprevir > Vanihep > C38H55N5O9S > 757.940 > 757.37205 > 0 > [H][C@@]1(CC)C[C@]1(NC(=O)[C@]1([H])C[C@]2([H])CN1C(=O)[C@@]([H])(NC(=O)OCC(C)(C)CCCCC1=C3CN(CC3=CC=C1)C(=O)O2)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1 > InChI=1S/C38H55N5O9S/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26/h10,12-13,25-27,29-30H,7-9,11,14-22H2,1-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,26-,29+,30-,38-/m1/s1 > KUQWGLQLLVFLSM-ONAXAZCASA-N > 923590-37-8 > 923590-37-8 > DB11929 > D09987 > SU3 > Vaniprevir > 19328051; 19841155; 20163176; 21838271; 22458448; 22473713; 22910833; 23439259; 23745769; 23747481; 23763767; 24120953; 25000830; 25115901; 25849338; 26354016; 26403160; 26569595; 26845940; 26936417; 26947564; 27512818; 28677966; 28796416; 31868916 $$$$