60193689 -OEChem-04262422382D 81 85 0 1 0 0 0 0 0999 V2000 13.2036 4.0080 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.3256 3.1471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.4646 2.0251 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6115 0.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8186 -0.6428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6774 -3.8475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1938 -1.6569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9856 1.5706 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0363 -2.8217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3186 -0.1909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6115 0.5162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0598 -1.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9942 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4526 -2.6228 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2846 0.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -1.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 -1.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -1.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 -0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6425 -2.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 0.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0476 -2.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4185 -2.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7455 -3.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3683 2.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5944 0.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7041 -3.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4695 0.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6144 -1.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2616 1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4527 -3.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3598 2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4614 1.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3635 1.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -3.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9685 1.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7425 3.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9600 1.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7339 3.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3427 2.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3341 3.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4791 0.4079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2671 1.0317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2203 -1.7557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6798 -1.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0212 2.0595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3889 1.5742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8537 -2.4623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4450 -0.5310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8834 0.2283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1241 0.6668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8015 -0.8868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6485 -0.6599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0362 -2.8276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4726 -2.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -2.8915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -3.7683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1839 -3.7683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3954 3.1139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 2.6286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1025 0.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9718 0.2853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0863 1.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2427 -3.9800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1182 -4.0274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1656 -3.1519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9362 -0.1592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3683 -1.3247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8020 1.4954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7119 -4.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9233 1.5065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3836 -2.6606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3659 2.3394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0599 -4.1761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2762 -4.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7313 1.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3650 4.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3374 1.4703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9712 4.2522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 43 1 0 0 0 0 2 43 1 0 0 0 0 3 43 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 6 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 6 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 31 2 0 0 0 0 23 32 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 33 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 36 1 0 0 0 0 31 71 1 0 0 0 0 32 37 1 0 0 0 0 32 72 1 0 0 0 0 33 38 2 0 0 0 0 33 39 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 1 0 0 0 0 38 78 1 0 0 0 0 39 41 2 0 0 0 0 39 79 1 0 0 0 0 40 42 2 0 0 0 0 40 80 1 0 0 0 0 41 42 1 0 0 0 0 41 81 1 0 0 0 0 42 43 1 0 0 0 0 M END > 60193689 > 1 > 913 > 7 > 1 > 6 > AAADcfB/MYAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHwAACAAADTzhnhYywPMMFgCoAyVyVACCgCAnAiAI2CG4bNgKdvLAtbmXcQhmxgHY6QeY2fOewAAAAAASAACAAAAAACQAAAAAAAAAAA== > (10S,11S)-13-[(1S)-2-hydroxy-1-methyl-ethyl]-11,16-dimethyl-10-[[methyl-[[4-(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 > (10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-10-[[methyl-[[4-(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 > (10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-10-[[methyl-[[4-(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 > (10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-10-[[methyl-[[4-(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 > (10S,11S)-11,16-dimethyl-10-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-[(2S)-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 > (10S,11S)-13-[(1S)-2-hydroxy-1-methyl-ethyl]-11,16-dimethyl-10-[[methyl-[4-(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(28-11-7-8-12-29(28)39(32)4)27-10-6-5-9-25(27)21-43-30(22)19-38(3)18-24-13-15-26(16-14-24)34(35,36)37/h5-16,22-23,30,41H,17-21H2,1-4H3/t22-,23-,30+/m0/s1 > RXMLNHHGSMPDLP-ZTNZZFSWSA-N > 5.9 > 593.28652657 > C34H38F3N3O3 > 593.7 > CC1CN(C(=O)C2=C(C3=CC=CC=C3COC1CN(C)CC4=CC=C(C=C4)C(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=C(C=C4)C(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 6 14 25 6 16 18 8 18 21 8 20 22 8 20 29 8 21 23 8 21 30 8 22 31 8 23 32 8 29 34 8 30 35 8 31 36 8 32 37 8 33 38 8 33 39 8 34 36 8 35 37 8 38 40 8 39 41 8 40 42 8 41 42 8 9 16 8 9 23 8 $$$$