null CDK 0224162302 null 36 39 0 0 0 0 0 0 0 0999 V2000 -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 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7859 2.0906 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 -4.5004 3.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7859 3.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0714 3.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0714 2.5031 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 -2.3569 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 1 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 1 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 -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 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 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0493 -2.6626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2708 -3.2095 0.0000 N 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 1.4573 -4.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1416 -5.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3237 -5.4961 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 0.1372 -4.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -6.2583 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 3 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 13 1 6 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 17 16 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 19 14 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 17 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 29 1 0 0 0 0 32 35 1 0 0 0 0 23 36 1 6 0 0 0 M END > CHEBI:99051 > (3R,6aS,8R,10aS)-N-(4-fluorophenyl)-3-hydroxy-8-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide > 2 > C26H32FN3O6 > 501.548 > 501.22751 > 0 > COC1=CC=CC=C1CNC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3C(=O)NC4=CC=C(C=C4)F)O > InChI=1S/C26H32FN3O6/c1-34-23-5-3-2-4-17(23)13-28-25(32)12-21-10-11-22-24(36-21)16-35-15-20(31)14-30(22)26(33)29-19-8-6-18(27)7-9-19/h2-9,20-22,24,31H,10-16H2,1H3,(H,28,32)(H,29,33)/t20-,21-,22+,24-/m1/s1 > ADXBMBRYFBFALA-PIATZUFCSA-N > LSM-10430 $$$$