60187733 -OEChem-04192418462D 88 93 0 1 0 0 0 0 0999 V2000 6.6115 0.4847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8186 -0.6742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6774 -3.8790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1938 -1.6883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9856 1.5391 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0363 -2.8532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3186 -0.2224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6115 0.4847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0598 -1.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9942 1.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4526 -2.6543 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2846 0.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -1.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 -1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 -0.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -0.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6425 -2.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 0.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0476 -2.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4185 -2.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7455 -3.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3683 2.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5944 0.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7041 -3.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4695 0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6144 -1.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2616 1.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4527 -3.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3598 2.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4614 1.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3635 1.6879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -3.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7425 3.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9685 1.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7339 3.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9600 1.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3427 2.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3341 2.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9429 2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7168 3.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9343 2.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7082 4.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3170 3.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4791 0.3765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2671 1.0002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2203 -1.7872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6798 -1.1883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0212 2.0280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3889 1.5428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8537 -2.4938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4450 -0.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8834 0.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1241 0.6353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8015 -0.9183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6485 -0.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0362 -2.8590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4726 -2.2955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -2.9230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -3.7998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1839 -3.7998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3954 3.0824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 2.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1025 0.3683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9718 0.2539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0863 1.1232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2427 -4.0115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1182 -4.0589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1656 -3.1834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9362 -0.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3683 -1.3562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8020 1.4639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7119 -4.3669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9233 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3836 -2.6921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3659 2.3079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0599 -4.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2762 -4.0395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3650 4.0093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7313 1.2273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9712 4.2207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3374 1.4388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7056 1.6189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3394 4.4008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3118 1.8304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9455 4.6123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9317 3.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 16 1 0 0 0 0 2 14 2 0 0 0 0 3 21 1 0 0 0 0 3 79 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 10 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 13 1 0 0 0 0 6 20 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 6 0 0 0 7 46 1 0 0 0 0 8 10 1 1 0 0 0 8 47 1 0 0 0 0 9 48 1 0 0 0 0 9 49 1 0 0 0 0 10 50 1 0 0 0 0 10 51 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 6 0 0 0 11 52 1 0 0 0 0 12 53 1 0 0 0 0 12 54 1 0 0 0 0 12 55 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 19 1 0 0 0 0 17 26 2 0 0 0 0 18 20 1 0 0 0 0 18 27 2 0 0 0 0 19 28 2 0 0 0 0 20 29 2 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 30 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 25 68 1 0 0 0 0 25 69 1 0 0 0 0 25 70 1 0 0 0 0 26 31 1 0 0 0 0 26 71 1 0 0 0 0 27 32 1 0 0 0 0 27 72 1 0 0 0 0 28 33 1 0 0 0 0 28 73 1 0 0 0 0 29 34 1 0 0 0 0 29 74 1 0 0 0 0 30 35 2 0 0 0 0 30 36 1 0 0 0 0 31 33 2 0 0 0 0 31 75 1 0 0 0 0 32 34 2 0 0 0 0 32 76 1 0 0 0 0 33 77 1 0 0 0 0 34 78 1 0 0 0 0 35 37 1 0 0 0 0 35 80 1 0 0 0 0 36 38 2 0 0 0 0 36 81 1 0 0 0 0 37 39 2 0 0 0 0 37 82 1 0 0 0 0 38 39 1 0 0 0 0 38 83 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 84 1 0 0 0 0 42 44 2 0 0 0 0 42 85 1 0 0 0 0 43 45 2 0 0 0 0 43 86 1 0 0 0 0 44 45 1 0 0 0 0 44 87 1 0 0 0 0 45 88 1 0 0 0 0 M END > 60187733 > 1 > 933 > 4 > 1 > 7 > AAADcfB/MAAAAAAAAAAAAAAAAAAAAWAAAAAwYMGAAAAAAFgB9AAAHgAACAAADTzhngYywPMMFgCoAyVyVACCgCAnAiAI2CG4bNgKdvLAtbmXcQhmxgHY6QeY2fOewAAAAAASAACAAAAAACQAAAAAAAAAAA== > (10R,11R)-13-[(1S)-2-hydroxy-1-methyl-ethyl]-11,16-dimethyl-10-[[methyl-[(4-phenylphenyl)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,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-10-[[methyl-[(4-phenylphenyl)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,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-10-[[methyl-[(4-phenylphenyl)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,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-10-[[methyl-[(4-phenylphenyl)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,11R)-11,16-dimethyl-10-[[methyl-[(4-phenylphenyl)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 > (10R,11R)-13-[(1S)-2-hydroxy-1-methyl-ethyl]-11,16-dimethyl-10-[[methyl-(4-phenylbenzyl)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/C39H43N3O3/c1-27-22-42(28(2)25-43)39(44)38-37(34-16-10-11-17-35(34)41(38)4)33-15-9-8-14-32(33)26-45-36(27)24-40(3)23-29-18-20-31(21-19-29)30-12-6-5-7-13-30/h5-21,27-28,36,43H,22-26H2,1-4H3/t27-,28+,36+/m1/s1 > LYMUYLCMDRKWKZ-ABGITXETSA-N > 6.6 > 601.33044224 > C39H43N3O3 > 601.8 > CC1CN(C(=O)C2=C(C3=CC=CC=C3COC1CN(C)CC4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=CC=C6N2C)C(C)CO > C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=CC=C6N2C)[C@@H](C)CO > 57.9 > 601.33044224 > 0 > 45 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 22 6 13 15 8 15 18 8 17 19 8 17 26 8 18 20 8 18 27 8 19 28 8 20 29 8 26 31 8 27 32 8 28 33 8 29 34 8 30 35 8 30 36 8 31 33 8 32 34 8 35 37 8 36 38 8 37 39 8 38 39 8 40 41 8 40 42 8 41 43 8 42 44 8 43 45 8 44 45 8 6 13 8 6 20 8 7 12 6 8 10 5 $$$$