null CDK 0224162321 null 37 40 0 0 0 0 0 0 0 0999 V2000 5.1447 2.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 1.4084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4124 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1269 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8413 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8413 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1269 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4124 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8290 -0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 -0.5834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4207 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4207 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 1.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6883 2.1706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7062 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7062 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2773 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5628 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5628 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1517 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8662 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5806 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5806 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8662 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1517 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5628 2.4750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.5558 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5558 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8413 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2703 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2703 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9847 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 -3.3000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5722 -3.6020 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.3972 -2.1730 0.0000 F 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 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 7 1 6 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 12 13 1 0 0 0 0 13 2 1 0 0 0 0 13 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 11 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 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 6 29 1 1 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 M END > CHEBI:102284 > N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-chlorobenzamide > 2 > C25H25ClF3N3O5 > 539.932 > 539.14348 > 0 > CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4Cl)CC(=O)NCC(F)(F)F > InChI=1S/C25H25ClF3N3O5/c1-32-19-8-7-15(11-22(33)30-13-25(27,28)29)37-21(19)12-36-20-9-6-14(10-17(20)24(32)35)31-23(34)16-4-2-3-5-18(16)26/h2-6,9-10,15,19,21H,7-8,11-13H2,1H3,(H,30,33)(H,31,34)/t15-,19-,21+/m0/s1 > KEGRQPVLAXHQPZ-PAXLWEDBSA-N > LSM-13637 $$$$