60192615 -OEChem-04182422262D 84 88 0 1 0 0 0 0 0999 V2000 6.6115 0.6805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8186 -0.4784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6774 -3.6832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9856 1.7349 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1938 -1.4926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0363 -2.6574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3598 2.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9685 1.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7425 3.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3683 2.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9600 2.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7339 3.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3427 3.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6115 0.6805 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9942 1.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3186 -0.0266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0598 -0.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5944 0.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2846 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4526 -2.4585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1115 -1.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -1.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -1.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 0.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4185 -2.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6425 -1.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7455 -3.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0476 -2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2616 1.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4695 0.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7041 -3.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6144 -1.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4527 -3.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3635 1.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4614 1.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -3.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9824 3.2812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4186 1.7096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1550 1.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7695 4.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1372 3.8474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3954 3.2782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 2.7930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9329 1.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5653 1.9923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2839 4.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5475 4.4350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8656 2.7172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7615 3.5074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2671 1.1960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4791 0.5722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0212 2.2238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3889 1.7386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2203 -1.5914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6798 -0.9926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1025 0.5641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9718 0.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0863 1.3190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4450 -0.3667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8834 0.3927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1241 0.8311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8537 -2.2980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8015 -0.7225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6485 -0.4955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0362 -2.6633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4726 -2.0997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -2.7272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -3.6040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1839 -3.6040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8020 1.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9362 0.0051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2427 -3.8157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1182 -3.8631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1656 -2.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3683 -1.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7119 -4.1712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3659 2.5037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9233 1.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2762 -3.8437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3836 -2.4963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0599 -4.0118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 22 1 0 0 0 0 2 21 2 0 0 0 0 3 27 1 0 0 0 0 3 82 1 0 0 0 0 4 10 1 0 0 0 0 4 15 1 0 0 0 0 4 18 1 0 0 0 0 5 17 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 23 1 0 0 0 0 6 30 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 40 1 0 0 0 0 8 11 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 12 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 13 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 14 53 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 1 0 0 0 16 54 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 18 61 1 0 0 0 0 19 62 1 0 0 0 0 19 63 1 0 0 0 0 19 64 1 0 0 0 0 20 27 1 0 0 0 0 20 29 1 1 0 0 0 20 65 1 0 0 0 0 21 23 1 0 0 0 0 22 25 1 0 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 23 24 2 0 0 0 0 24 26 1 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 31 2 0 0 0 0 26 32 2 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 28 30 1 0 0 0 0 28 34 2 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 30 35 2 0 0 0 0 31 36 1 0 0 0 0 31 73 1 0 0 0 0 32 37 1 0 0 0 0 32 74 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 34 38 1 0 0 0 0 34 78 1 0 0 0 0 35 39 1 0 0 0 0 35 79 1 0 0 0 0 36 37 2 0 0 0 0 36 80 1 0 0 0 0 37 81 1 0 0 0 0 38 39 2 0 0 0 0 38 83 1 0 0 0 0 39 84 1 0 0 0 0 M END > 60192615 > 1 > 788 > 4 > 1 > 6 > AAADcfB/MAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAACAAADTzhngYywPMMFgCoAyVyVACCgCAnAiAI2CG4bNgKdvLAtbmXcQhmxgHY6QeY2fOegAAAAAASAAAAAAAAACQAAAAAAAAAAA== > (10S,11S)-10-[[cyclohexylmethyl(methyl)amino]methyl]-13-[(1R)-2-hydroxy-1-methyl-ethyl]-11,16-dimethyl-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)-10-[[cyclohexylmethyl(methyl)amino]methyl]-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-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)-10-[[cyclohexylmethyl(methyl)amino]methyl]-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-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)-10-[[cyclohexylmethyl(methyl)amino]methyl]-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-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)-10-[[cyclohexylmethyl(methyl)amino]methyl]-11,16-dimethyl-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 > (10S,11S)-10-[[cyclohexylmethyl(methyl)amino]methyl]-13-[(1R)-2-hydroxy-1-methyl-ethyl]-11,16-dimethyl-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/C33H45N3O3/c1-23-18-36(24(2)21-37)33(38)32-31(28-16-10-11-17-29(28)35(32)4)27-15-9-8-14-26(27)22-39-30(23)20-34(3)19-25-12-6-5-7-13-25/h8-11,14-17,23-25,30,37H,5-7,12-13,18-22H2,1-4H3/t23-,24+,30+/m0/s1 > COMFGQCFMQKYMB-FVBCXUTKSA-N > 5.9 > 531.34609231 > C33H45N3O3 > 531.7 > CC1CN(C(=O)C2=C(C3=CC=CC=C3COC1CN(C)CC4CCCCC4)C5=CC=CC=C5N2C)C(C)CO > C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)CC4CCCCC4)C5=CC=CC=C5N2C)[C@H](C)CO > 57.9 > 531.34609231 > 0 > 39 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 15 6 16 19 5 20 29 5 23 24 8 24 28 8 25 26 8 25 31 8 26 32 8 28 30 8 28 34 8 30 35 8 31 36 8 32 37 8 34 38 8 35 39 8 36 37 8 38 39 8 6 23 8 6 30 8 $$$$