60183828 -OEChem-04242401532D 81 85 0 1 0 0 0 0 0999 V2000 9.3404 3.1697 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.5249 4.5718 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.9271 4.3872 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6115 -0.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8186 -1.2065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6774 -4.4113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1938 -2.2206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9856 1.0068 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0363 -3.3855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3186 -0.7547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6115 -0.0476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0598 -1.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9942 0.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4526 -3.1866 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2846 -0.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -2.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 -1.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -1.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 -0.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -0.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6425 -2.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -0.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0476 -3.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4185 -3.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7455 -3.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3683 1.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5944 0.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7041 -4.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4695 -0.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6144 -2.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3598 2.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2616 0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4527 -4.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4614 0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3635 1.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -4.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7425 2.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9685 1.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7339 3.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1337 3.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9600 1.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3427 2.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4791 -0.1558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2671 0.4679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2203 -2.3195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6798 -1.7206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0212 1.4957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3889 1.0105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8537 -3.0261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4450 -1.0948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8834 -0.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1241 0.1030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8015 -1.4506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6485 -1.2236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0362 -3.3914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4726 -2.8278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -3.4553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -4.3321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1839 -4.3321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3954 2.5501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 2.0649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1025 -0.1640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9718 -0.2784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0863 0.5909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2427 -4.5438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1182 -4.5912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1656 -3.7157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9362 -0.7230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3683 -1.8884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8020 0.9316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7119 -4.8992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9233 0.9427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3836 -3.2244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3659 1.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0599 -4.7399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2762 -4.5718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7313 0.6950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9712 3.6884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3374 0.9065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9574 2.4032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 41 1 0 0 0 0 2 41 1 0 0 0 0 3 41 1 0 0 0 0 4 11 1 0 0 0 0 4 19 1 0 0 0 0 5 17 2 0 0 0 0 6 24 1 0 0 0 0 6 77 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 8 13 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 16 1 0 0 0 0 9 23 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 1 0 0 0 10 44 1 0 0 0 0 11 13 1 1 0 0 0 11 45 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 1 0 0 0 14 50 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 22 1 0 0 0 0 20 29 2 0 0 0 0 21 23 1 0 0 0 0 21 30 2 0 0 0 0 22 32 2 0 0 0 0 23 33 2 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 31 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 29 34 1 0 0 0 0 29 69 1 0 0 0 0 30 35 1 0 0 0 0 30 70 1 0 0 0 0 31 38 1 0 0 0 0 31 39 2 0 0 0 0 32 36 1 0 0 0 0 32 71 1 0 0 0 0 33 37 1 0 0 0 0 33 72 1 0 0 0 0 34 36 2 0 0 0 0 34 73 1 0 0 0 0 35 37 2 0 0 0 0 35 74 1 0 0 0 0 36 75 1 0 0 0 0 37 76 1 0 0 0 0 38 40 2 0 0 0 0 38 41 1 0 0 0 0 39 42 1 0 0 0 0 39 78 1 0 0 0 0 40 43 1 0 0 0 0 40 79 1 0 0 0 0 42 43 2 0 0 0 0 42 80 1 0 0 0 0 43 81 1 0 0 0 0 M END > 60183828 > 1 > 921 > 7 > 1 > 6 > AAADcfB/MYAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHwAACAAADTzhnhYywPMMFgCoAyVyVACCgCAnAiAI2CG4bNgKdvLAtbmXcQhmxgHY6QeY2fOegAAAAAASAAAAAAAAACQAAAAAAAAAAA== > (10R,11S)-13-[(1R)-2-hydroxy-1-methyl-ethyl]-11,16-dimethyl-10-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one > (10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-10-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one > (10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-10-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one > (10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-10-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one > (10R,11S)-11,16-dimethyl-10-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-[(2R)-1-oxidanylpropan-2-yl]-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one > (10R,11S)-13-[(1R)-2-hydroxy-1-methyl-ethyl]-11,16-dimethyl-10-[[methyl-[2-(trifluoromethyl)benzyl]amino]methyl]-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-14-one > InChI=1S/C34H38F3N3O3/c1-22-17-40(23(2)20-41)33(42)32-31(27-14-8-10-16-29(27)39(32)4)26-13-7-5-12-25(26)21-43-30(22)19-38(3)18-24-11-6-9-15-28(24)34(35,36)37/h5-16,22-23,30,41H,17-21H2,1-4H3/t22-,23+,30-/m0/s1 > AZIJFCJKAWQBQX-BURCIIJTSA-N > 5.9 > 593.28652657 > C34H38F3N3O3 > 593.7 > CC1CN(C(=O)C2=C(C3=CC=CC=C3COC1CN(C)CC4=CC=CC=C4C(F)(F)F)C5=CC=CC=C5N2C)C(C)CO > C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC=CC=C4C(F)(F)F)C5=CC=CC=C5N2C)[C@H](C)CO > 57.9 > 593.28652657 > 0 > 43 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 15 5 11 13 5 14 25 5 16 18 8 18 21 8 20 22 8 20 29 8 21 23 8 21 30 8 22 32 8 23 33 8 29 34 8 30 35 8 31 38 8 31 39 8 32 36 8 33 37 8 34 36 8 35 37 8 38 40 8 39 42 8 40 43 8 42 43 8 9 16 8 9 23 8 $$$$