null CDK 0224162222 null 34 37 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 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 1.2708 -3.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0888 -3.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 -3.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2753 -4.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4573 -4.6262 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 1.1416 -5.3884 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4045 -2.3396 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 1 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 -5.2148 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9293 0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9293 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 -4.5004 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6438 1.2656 0.0000 Cl 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 1 0 0 0 0 12 13 2 0 0 0 0 13 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 12 1 0 0 0 0 16 18 1 0 0 0 0 13 19 1 0 0 0 0 8 20 1 1 0 0 0 4 21 1 0 0 0 0 21 22 1 0 0 0 0 22 1 1 0 0 0 0 22 23 1 6 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 28 1 0 0 0 0 31 34 1 0 0 0 0 M END > CHEBI:97615 > 2-[(3S,6aR,8R,10aR)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide > 2 > C25H29ClF2N2O4 > 494.959 > 494.17839 > 0 > C1C[C@@H]2[C@H](COC[C@H](CN2CC3=C(C=CC(=C3)F)F)O)O[C@H]1CC(=O)NCC4=CC=C(C=C4)Cl > InChI=1S/C25H29ClF2N2O4/c26-18-3-1-16(2-4-18)11-29-25(32)10-21-6-8-23-24(34-21)15-33-14-20(31)13-30(23)12-17-9-19(27)5-7-22(17)28/h1-5,7,9,20-21,23-24,31H,6,8,10-15H2,(H,29,32)/t20-,21+,23+,24-/m0/s1 > VYCGBAYEGCCJIH-SCDRESIJSA-N > LSM-8994 $$$$