null CDK 0224162320 null 29 32 0 0 0 0 0 0 0 0999 V2000 -2.3569 3.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7736 2.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3569 2.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9403 2.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3569 1.2656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6425 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 1.2656 0.0000 O 0 0 0 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 -0.9280 -0.3844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -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 1 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 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 2 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 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0493 -2.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5516 -2.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3695 -2.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6852 -2.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -3.5325 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 0.1372 -4.0794 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 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 9 8 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 11 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 1 0 0 0 14 9 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 12 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 18 29 1 1 0 0 0 M END > CHEBI:102232 > 2-[(3S,6aR,8S,10aR)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide > 2 > C22H31FN2O4 > 406.492 > 406.22679 > 0 > C1CC(C1)NC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3CC4=CC=CC=C4F)O > InChI=1S/C22H31FN2O4/c23-19-7-2-1-4-15(19)11-25-12-17(26)13-28-14-21-20(25)9-8-18(29-21)10-22(27)24-16-5-3-6-16/h1-2,4,7,16-18,20-21,26H,3,5-6,8-14H2,(H,24,27)/t17-,18-,20+,21-/m0/s1 > LTCDBOWOUBSGLM-MMKMLUHNSA-N > LSM-13588 $$$$