54654643 -OEChem-03282412462D 81 86 0 1 0 0 0 0 0999 V2000 19.2705 -0.0092 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.5585 -0.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1596 -0.2472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5423 3.0909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9166 1.4324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4026 0.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1596 2.1670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 -0.0709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5308 1.9841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2628 1.9908 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4525 1.4599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4525 0.4599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5585 1.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6525 1.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6525 0.4391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1596 -0.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 -0.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1596 2.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7769 3.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8667 1.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9204 0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8667 0.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7606 1.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7606 -0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6667 1.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6667 0.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1884 0.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3243 -0.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4564 0.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 -1.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3988 1.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5923 -0.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -1.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1308 1.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -2.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1346 0.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9949 1.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -3.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 -2.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0026 -0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8628 1.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8667 0.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3480 2.3035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3480 -0.3836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9631 2.4644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1649 2.4736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4434 2.0644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0416 1.3746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6561 -0.1809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6227 -0.5572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3201 -0.8461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3917 -0.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1887 -0.5376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3497 3.3282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5396 3.6637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2041 2.8536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7535 2.6145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7535 -0.6947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0587 -0.6909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2024 0.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5851 0.9022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7880 0.8992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5284 2.6041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4540 1.0391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8663 -1.3855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 0.2237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4665 -2.2009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2605 2.6107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 -2.8955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8617 -0.4709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9925 2.6174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 -3.7109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -1.2863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 -2.9063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0050 -0.6226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3986 1.8128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4048 0.1928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 3 22 1 0 0 0 0 4 18 2 0 0 0 0 5 21 2 0 0 0 0 6 31 2 0 0 0 0 7 11 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 21 1 0 0 0 0 8 27 1 0 0 0 0 8 63 1 0 0 0 0 9 25 1 0 0 0 0 9 31 1 0 0 0 0 9 67 1 0 0 0 0 10 31 1 0 0 0 0 10 36 1 0 0 0 0 10 72 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 47 1 1 0 0 0 12 16 1 0 0 0 0 12 48 1 6 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 15 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 17 1 1 0 0 0 15 53 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 21 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 20 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 19 60 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 23 61 1 0 0 0 0 24 26 2 0 0 0 0 24 62 1 0 0 0 0 25 26 1 0 0 0 0 26 64 1 0 0 0 0 27 28 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 32 1 0 0 0 0 29 68 1 0 0 0 0 30 33 2 0 0 0 0 30 69 1 0 0 0 0 32 34 2 0 0 0 0 32 70 1 0 0 0 0 33 34 1 0 0 0 0 33 71 1 0 0 0 0 34 35 1 0 0 0 0 35 37 2 0 0 0 0 35 38 1 0 0 0 0 36 39 1 0 0 0 0 36 40 2 0 0 0 0 37 41 1 0 0 0 0 37 73 1 0 0 0 0 38 42 2 0 0 0 0 38 74 1 0 0 0 0 39 44 2 0 0 0 0 40 45 1 0 0 0 0 40 75 1 0 0 0 0 41 43 2 0 0 0 0 41 76 1 0 0 0 0 42 43 1 0 0 0 0 42 77 1 0 0 0 0 43 78 1 0 0 0 0 44 46 1 0 0 0 0 44 79 1 0 0 0 0 45 46 2 0 0 0 0 45 80 1 0 0 0 0 46 81 1 0 0 0 0 M END > 54654643 > 1 > 1030 > 6 > 3 > 7 > AAADcfB/uQAAAAAAAAAAAAAAAAAAAAAAAAA0YMGCAAAWAAABVAAAHwAQAAAADDzhmA4zxoPABACIAiVSUACCCAAlIgAIiIEObMiPJjbEtZuHOWju9hPa6ae8yOCOwEAAQAAIAACAgACAABAAAAAAAAAAAA== > 2-[(2R,4aS,12aS)-8-[(2-fluorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide > 2-[(2R,4aS,12aS)-8-[[(2-fluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide > 2-[(2R,4aS,12aS)-8-[(2-fluorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide > 2-[(2R,4aS,12aS)-8-[(2-fluorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide > 2-[(2R,4aS,12aS)-8-[(2-fluorophenyl)carbamoylamino]-5-methyl-6-oxidanylidene-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]ethanamide > 2-[(2R,4aS,12aS)-8-[(2-fluorophenyl)carbamoylamino]-6-keto-5-methyl-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(4-phenylbenzyl)acetamide > InChI=1S/C36H35FN4O5/c1-41-31-17-16-27(20-34(42)38-21-23-11-13-25(14-12-23)24-7-3-2-4-8-24)46-33(31)22-45-32-18-15-26(19-28(32)35(41)43)39-36(44)40-30-10-6-5-9-29(30)37/h2-15,18-19,27,31,33H,16-17,20-22H2,1H3,(H,38,42)(H2,39,40,44)/t27-,31+,33-/m1/s1 > CNKJVVMJWSTYMR-QMOBXOPCSA-N > 4.7 > 622.25914839 > C36H35FN4O5 > 622.7 > CN1C2CCC(OC2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4F)CC(=O)NCC5=CC=C(C=C5)C6=CC=CC=C6 > CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4F)CC(=O)NCC5=CC=C(C=C5)C6=CC=CC=C6 > 109 > 622.25914839 > 0 > 46 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 47 5 12 48 6 15 17 5 20 22 8 20 23 8 22 24 8 23 25 8 24 26 8 25 26 8 28 29 8 28 30 8 29 32 8 30 33 8 32 34 8 33 34 8 35 37 8 35 38 8 36 39 8 36 40 8 37 41 8 38 42 8 39 44 8 40 45 8 41 43 8 42 43 8 44 46 8 45 46 8 $$$$