56588589 -OEChem-05112413292D 89 93 0 1 0 0 0 0 0999 V2000 8.1699 5.2826 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5339 0.6775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6427 -0.8856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7422 -3.8169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9543 -0.1351 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9463 1.4743 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0022 -1.9588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0066 0.1649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0016 1.1649 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8134 0.6540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2428 1.5571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2518 -0.2448 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2278 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2166 1.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5339 0.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8135 0.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6155 2.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6322 -1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2697 -1.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2522 2.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9762 3.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6274 2.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2492 -1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3826 -2.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9918 -2.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5806 3.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2296 2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3488 4.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7526 -3.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3618 -3.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5646 -2.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3607 3.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8866 4.1194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5356 3.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8640 4.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5441 -2.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9005 -2.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8595 -3.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8390 -3.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1544 -4.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1340 -4.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4903 -5.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1636 -0.6705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1503 2.0018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4862 0.1274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4447 2.1433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4595 -0.8290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9616 -1.0224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7145 -0.8466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6994 2.1734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9448 2.3417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8104 1.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1935 0.6459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8166 0.0290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6563 -1.1745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2522 -1.7038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5888 3.3640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4038 1.6036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6610 -0.8219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9701 -2.2809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8552 -3.0696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5989 -1.9770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9732 -1.4832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9746 3.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6460 2.1781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 4.6255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3874 2.8651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1455 -3.7986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7712 -4.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7743 -3.4948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8892 -2.7060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9717 4.3760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4702 4.5788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1416 3.7204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1575 -2.3453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5616 -1.8159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4370 -2.5702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4887 -3.4455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3640 -3.3937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2462 -3.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8420 -4.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2508 -3.1225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0091 -5.3436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7413 -4.8611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2588 -4.1290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0268 -4.8708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0786 -5.7461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9538 -5.6943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 15 2 0 0 0 0 3 18 2 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 8 1 0 0 0 0 5 15 1 0 0 0 0 5 19 1 0 0 0 0 6 9 1 0 0 0 0 6 15 1 0 0 0 0 6 20 1 0 0 0 0 7 18 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 44 1 1 0 0 0 9 14 1 0 0 0 0 9 45 1 1 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 6 0 0 0 10 46 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 6 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 6 0 0 0 12 48 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 19 23 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 26 2 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 21 58 1 0 0 0 0 22 29 2 0 0 0 0 22 59 1 0 0 0 0 23 32 2 0 0 0 0 23 60 1 0 0 0 0 24 30 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 31 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 34 1 0 0 0 0 26 65 1 0 0 0 0 27 35 2 0 0 0 0 27 66 1 0 0 0 0 28 33 2 0 0 0 0 28 67 1 0 0 0 0 29 33 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 32 37 1 0 0 0 0 32 38 1 0 0 0 0 33 73 1 0 0 0 0 34 36 2 0 0 0 0 34 74 1 0 0 0 0 35 36 1 0 0 0 0 35 75 1 0 0 0 0 37 39 1 0 0 0 0 37 76 1 0 0 0 0 37 77 1 0 0 0 0 38 78 1 0 0 0 0 38 79 1 0 0 0 0 38 80 1 0 0 0 0 39 40 1 0 0 0 0 39 81 1 0 0 0 0 39 82 1 0 0 0 0 40 41 2 0 0 0 0 40 83 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 42 84 1 0 0 0 0 42 85 1 0 0 0 0 42 86 1 0 0 0 0 43 87 1 0 0 0 0 43 88 1 0 0 0 0 43 89 1 0 0 0 0 M END > 56588589 > 1 > 1010 > 4 > 0 > 8 > AAADcfB/MQAAAAAAAAAAAAAAAAAAAWAAAAA8YIAABgAAAACxQAAAHwAAAAAADSjhmA4zwIMABACIAiVSUACCAAAhAgAIiAEIZIiKYDLAkZGXIAhohgLYyCccicCegAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (3aR,5S,6R,7R,8aS)-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-(4-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-7-phenyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d]imidazol-2-one > (3aR,5S,6R,7R,8aS)-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-(4-fluorophenyl)-6-methyl-5-[4-morpholinyl(oxo)methyl]-7-phenyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d]imidazol-2-one > (3aR,5S,6R,7R,8aS)-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-(4-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-7-phenyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d]imidazol-2-one > (3aR,5S,6R,7R,8aS)-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-(4-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-7-phenyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d]imidazol-2-one > (3aR,5S,6R,7R,8aS)-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-(4-fluorophenyl)-6-methyl-5-morpholin-4-ylcarbonyl-7-phenyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d]imidazol-2-one > (3aR,5S,6R,7R,8aS)-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-(4-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-7-phenyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohept[d]imidazol-2-one > InChI=1S/C36H46FN3O3/c1-25(2)9-8-10-26(3)17-18-39-33-24-32(35(41)38-19-21-43-22-20-38)27(4)31(28-11-6-5-7-12-28)23-34(33)40(36(39)42)30-15-13-29(37)14-16-30/h5-7,9,11-17,27,31-34H,8,10,18-24H2,1-4H3/b26-17+/t27-,31-,32+,33-,34+/m1/s1 > IYRKYQPWAYQNET-GTPSBNLBSA-N > 6.8 > 587.35232050 > C36H46FN3O3 > 587.8 > CC1C(CC2C(CC1C(=O)N3CCOCC3)N(C(=O)N2C4=CC=C(C=C4)F)CC=C(C)CCC=C(C)C)C5=CC=CC=C5 > C[C@@H]1[C@@H](C[C@H]2[C@@H](C[C@@H]1C(=O)N3CCOCC3)N(C(=O)N2C4=CC=C(C=C4)F)C/C=C(\C)/CCC=C(C)C)C5=CC=CC=C5 > 53.1 > 587.35232050 > 0 > 43 > 5 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 10 16 6 11 17 6 12 18 6 17 21 8 17 22 8 20 26 8 20 27 8 21 28 8 22 29 8 26 34 8 27 35 8 28 33 8 29 33 8 34 36 8 35 36 8 8 44 5 9 45 5 $$$$