70679007 -OEChem-05082416362D 88 90 0 0 0 0 0 0 0999 V2000 14.1289 3.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.5991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 9.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 9.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6289 4.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5453 7.4038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5453 5.7944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.0991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6289 5.7331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.5991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1289 4.8671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1289 6.5991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 7.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1289 6.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 6.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1289 6.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 5.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 7.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6289 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1289 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8560 8.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6289 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1289 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1289 3.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6289 5.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6289 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1289 6.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1289 4.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6289 5.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1289 6.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1289 4.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6289 5.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6289 4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 10.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7116 6.8112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0213 7.2097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 4.9791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 8.2191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2116 2.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5213 2.8796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5463 1.1909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2366 0.7924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 7.4091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4453 8.1618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0486 8.9437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 8.5470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0463 2.0569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7366 1.6584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7116 1.6150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0213 2.0135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3189 5.1962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 6.9914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 7.6817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7116 3.3471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0213 3.7456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 7.7068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 7.0165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0920 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9389 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1659 0.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8189 7.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8189 4.3301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.7191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4389 7.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4389 4.3301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.4791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0135 9.9914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 10.6817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7489 6.5991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8189 7.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 11.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 10.0622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3331 13.1351 0.0000 H 0 3 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 42 1 0 0 0 0 2 25 2 0 0 0 0 3 39 1 0 0 0 0 3 45 1 0 0 0 0 4 39 2 0 0 0 0 5 42 2 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 23 1 0 0 0 0 7 14 2 0 0 0 0 7 15 1 0 0 0 0 8 25 1 0 0 0 0 8 27 1 0 0 0 0 8 31 1 0 0 0 0 9 16 1 0 0 0 0 9 29 1 0 0 0 0 9 63 1 0 0 0 0 10 31 1 0 0 0 0 10 43 2 0 0 0 0 11 40 2 0 0 0 0 11 42 1 0 0 0 0 12 40 1 0 0 0 0 12 83 1 0 0 0 0 12 84 1 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 17 25 1 0 0 0 0 18 49 1 0 0 0 0 19 22 2 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 26 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 28 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 26 32 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 30 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 33 2 0 0 0 0 29 34 1 0 0 0 0 30 39 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 31 36 2 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 33 37 1 0 0 0 0 33 73 1 0 0 0 0 34 38 2 0 0 0 0 34 74 1 0 0 0 0 35 37 2 0 0 0 0 35 38 1 0 0 0 0 35 40 1 0 0 0 0 36 41 1 0 0 0 0 36 75 1 0 0 0 0 37 76 1 0 0 0 0 38 77 1 0 0 0 0 41 44 2 0 0 0 0 41 78 1 0 0 0 0 43 44 1 0 0 0 0 43 79 1 0 0 0 0 44 80 1 0 0 0 0 45 46 1 0 0 0 0 45 81 1 0 0 0 0 45 82 1 0 0 0 0 46 85 1 0 0 0 0 46 86 1 0 0 0 0 46 87 1 0 0 0 0 M CHG 1 88 1 M END > 70679007 > 1 > 1000 > 8 > 3 > 17 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB/AAAHgAQAAAADAjhnwY/+LfMFACoAzf3fACCgC01EqAJ2KE4dNiIaPrAnZGeIQhulwLIyaecyQCeCAAAQAAAACAQAACAAAAAQAAAAAAAAA== > ethyl 3-[[2-[[4-[(E)-N'-hexoxycarbonylcarbamimidoyl]anilino]methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propanoate;hydron > 3-[[[2-[[4-[(E)-amino-[hexoxy(oxo)methyl]iminomethyl]anilino]methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-pyridinyl)amino]propanoic acid ethyl ester;hydron > ethyl 3-[[2-[[4-[(E)-N'-hexoxycarbonylcarbamimidoyl]anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate;hydron > ethyl 3-[[2-[[4-[(E)-N'-hexoxycarbonylcarbamimidoyl]anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate;hydron > ethyl 3-[[2-[[[4-[(E)-N'-hexoxycarbonylcarbamimidoyl]phenyl]amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoate;hydron > 3-[[2-[[4-[(E)-N'-hexoxycarbonylamidino]anilino]methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propionic acid ethyl ester;hydron > InChI=1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44)/p+1 > KSGXQBZTULBEEQ-UHFFFAOYSA-O > 628.32474247 > C34H42N7O5+ > 628.7 > [H+].CCCCCCOC(=O)N=C(C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)N > [H+].CCCCCCOC(=O)/N=C(\C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)/N > 154 > 628.32474247 > 1 > 46 > 0 > 0 > 1 > 0 > 0 > 2 > -1 > 1 5 255 > 10 31 8 10 43 8 13 15 8 13 19 8 15 18 8 17 18 8 17 22 8 19 22 8 29 33 8 29 34 8 31 36 8 33 37 8 34 38 8 35 37 8 35 38 8 36 41 8 41 44 8 43 44 8 6 13 8 6 14 8 7 14 8 7 15 8 $$$$