null CDK 0224162250 null 39 43 0 0 0 0 0 0 0 0999 V2000 -0.9280 -1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2135 -1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5009 -1.2094 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5009 -0.3844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0843 0.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9093 0.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4927 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4927 -1.2094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9093 -1.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0843 -1.7928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7686 -2.5550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5308 -2.8707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0064 -2.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4529 -3.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9551 -3.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6394 -4.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1785 -4.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6808 -4.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3651 -3.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8673 -2.7703 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2549 -1.5251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2135 0.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.3844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6425 0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3569 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3569 -1.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0714 0.0281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7859 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5004 0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5004 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7859 1.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0714 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2148 1.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2148 2.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9293 2.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9293 3.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2148 3.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5004 3.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5004 2.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 6 0 0 0 3 4 1 0 0 0 0 4 5 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 3 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 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 19 14 1 0 0 0 0 19 20 1 0 0 0 0 8 21 1 6 0 0 0 4 22 1 0 0 0 0 22 23 1 0 0 0 0 23 1 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 27 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 34 1 0 0 0 0 M END > CHEBI:98384 > 2-[(3R,6aR,8S,10aR)-1-(2-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-benzylpiperidin-1-yl)ethanone > 2 > C29H37FN2O6S > 560.679 > 560.23564 > 0 > C1C[C@@H]2[C@H](COC[C@@H](CN2S(=O)(=O)C3=CC=CC=C3F)O)O[C@@H]1CC(=O)N4CCC(CC4)CC5=CC=CC=C5 > InChI=1S/C29H37FN2O6S/c30-25-8-4-5-9-28(25)39(35,36)32-18-23(33)19-37-20-27-26(32)11-10-24(38-27)17-29(34)31-14-12-22(13-15-31)16-21-6-2-1-3-7-21/h1-9,22-24,26-27,33H,10-20H2/t23-,24+,26-,27+/m1/s1 > SAJFZBDCMOWFNB-PTJMHOJZSA-N > LSM-9763 $$$$