60159039 -OEChem-04262421132D 63 66 0 1 0 0 0 0 0999 V2000 14.9385 0.4128 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6555 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3608 -0.2881 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3674 -2.0163 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 18.4103 -1.5738 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0983 -1.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6994 -1.3218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0821 2.0163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4564 0.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4352 1.2807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4419 -0.4552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 1.0924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -1.1455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0706 0.9095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9923 0.3853 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9923 -0.6147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0983 0.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1923 0.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1923 -0.6355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6994 -1.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 -1.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6994 1.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3167 2.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4065 0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4065 -0.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4602 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3004 0.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3004 -1.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2065 0.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2065 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7282 -0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8065 -0.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8103 -1.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6706 0.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6783 -1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5385 -0.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5424 -1.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8878 1.2289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8878 -1.4582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5029 1.3898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7047 1.3990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9832 0.9898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5814 0.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -1.2555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1624 -1.6318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8598 -1.9207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9315 -1.6153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7285 -1.6122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8895 2.2536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0794 2.5891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7439 1.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2933 1.5399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2933 -1.7693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5985 -1.7655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7422 -0.9476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1249 -0.1724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3278 -0.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0682 1.5294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2746 -1.3959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6682 1.0395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6807 -2.2005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0742 0.2349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 1 11 2 0 0 0 0 1 14 1 0 0 0 0 1 33 1 0 0 0 0 2 32 1 0 0 0 0 3 32 1 0 0 0 0 4 32 1 0 0 0 0 5 38 1 0 0 0 0 6 16 1 0 0 0 0 6 19 1 0 0 0 0 7 20 1 0 0 0 0 7 25 1 0 0 0 0 8 22 2 0 0 0 0 9 26 2 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 26 1 0 0 0 0 13 31 1 0 0 0 0 13 55 1 0 0 0 0 14 29 1 0 0 0 0 14 59 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 1 0 0 0 16 20 1 0 0 0 0 16 40 1 6 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 21 1 1 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 26 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 27 29 2 0 0 0 0 27 53 1 0 0 0 0 28 30 2 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 34 60 1 0 0 0 0 35 37 2 0 0 0 0 35 61 1 0 0 0 0 36 38 2 0 0 0 0 36 62 1 0 0 0 0 37 38 1 0 0 0 0 37 63 1 0 0 0 0 M END > 60159039 > 1 > 954 > 11 > 2 > 6 > AAADceB7OcBAAAAAAAAAAAAAAAAAAAAAAAA0YIAAAAAWAAABQAAAHwQQQAAADDzh2B4yx4PABAKIAiVSUHDCCBAkIgAIiJkObMgPJjaEtZuHOWjm9hGa6Ye8yKCOAEAAQAAIAAAAgACAABAAAAAAAAAAAA== > 2-[(2R,4aS,12aS)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide > 2-[(2R,4aS,12aS)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide > 2-[(2R,4aS,12aS)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide > 2-[(2R,4aS,12aS)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide > 2-[(2R,4aS,12aS)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxidanylidene-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide > 2-[(2R,4aS,12aS)-8-[(4-fluorophenyl)sulfonylamino]-6-keto-5-methyl-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide > InChI=1S/C24H25F4N3O6S/c1-31-19-8-5-16(11-22(32)29-13-24(26,27)28)37-21(19)12-36-20-9-4-15(10-18(20)23(31)33)30-38(34,35)17-6-2-14(25)3-7-17/h2-4,6-7,9-10,16,19,21,30H,5,8,11-13H2,1H3,(H,29,32)/t16-,19+,21-/m1/s1 > FVXBGMBMLZPPSG-LKUPVBHCSA-N > 2.7 > 559.14001935 > C24H25F4N3O6S > 559.5 > CN1C2CCC(OC2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CC(=O)NCC(F)(F)F > CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CC(=O)NCC(F)(F)F > 122 > 559.14001935 > 0 > 38 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 39 5 16 40 6 19 21 5 24 25 8 24 27 8 25 28 8 27 29 8 28 30 8 29 30 8 33 34 8 33 35 8 34 36 8 35 37 8 36 38 8 37 38 8 $$$$