60185690 -OEChem-04182416442D 87 92 0 1 0 0 0 0 0999 V2000 6.6115 -0.3924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8186 -1.5514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6774 -4.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0339 3.3626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2581 3.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1938 -2.5655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9856 0.6620 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0363 -3.7303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3186 -1.0996 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6115 -0.3924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0598 -2.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9942 0.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4526 -3.5314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2846 -0.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 -2.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -2.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -2.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 -1.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -1.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6425 -2.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -0.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0476 -3.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4185 -3.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3683 1.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7455 -4.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5944 -0.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3598 1.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7041 -4.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4695 -0.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6144 -2.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2616 0.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4527 -4.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7621 2.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4614 0.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3635 0.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -4.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9971 0.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7520 2.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0281 1.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4081 2.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1158 4.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9460 4.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8994 4.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4791 -0.5007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2671 0.1231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2203 -2.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6798 -2.0655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0212 1.1508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3889 0.6656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8537 -3.3709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4450 -1.4396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8834 -0.6803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1241 -0.2419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8015 -1.7954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6485 -1.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0362 -3.7362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4726 -3.1726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3954 2.2053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 1.7200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -3.8001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -4.6769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1839 -4.6769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1025 -0.5088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9718 -0.6233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0863 0.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2427 -4.8886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1182 -4.9360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1656 -4.0605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9362 -1.0678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3683 -2.2333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8020 0.5868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7119 -5.2441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9233 0.5979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3836 -3.5692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3659 1.4308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0599 -5.0848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2762 -4.9166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7642 0.3178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4131 0.5543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0208 2.1053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8934 4.9379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5020 4.2712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2598 5.4513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4945 5.3416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5132 4.7031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9502 5.2330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 18 1 0 0 0 0 2 15 2 0 0 0 0 3 23 1 0 0 0 0 3 78 1 0 0 0 0 4 33 1 0 0 0 0 4 42 1 0 0 0 0 5 39 1 0 0 0 0 5 44 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 12 1 0 0 0 0 7 24 1 0 0 0 0 7 26 1 0 0 0 0 8 16 1 0 0 0 0 8 22 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 1 0 0 0 9 45 1 0 0 0 0 10 12 1 6 0 0 0 10 46 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 23 1 0 0 0 0 13 25 1 6 0 0 0 13 51 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 21 1 0 0 0 0 19 29 2 0 0 0 0 20 22 1 0 0 0 0 20 30 2 0 0 0 0 21 31 2 0 0 0 0 22 32 2 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 27 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 33 2 0 0 0 0 27 38 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 34 1 0 0 0 0 29 70 1 0 0 0 0 30 36 1 0 0 0 0 30 71 1 0 0 0 0 31 35 1 0 0 0 0 31 72 1 0 0 0 0 32 37 1 0 0 0 0 32 73 1 0 0 0 0 33 39 1 0 0 0 0 34 35 2 0 0 0 0 34 74 1 0 0 0 0 35 76 1 0 0 0 0 36 37 2 0 0 0 0 36 75 1 0 0 0 0 37 77 1 0 0 0 0 38 40 2 0 0 0 0 38 79 1 0 0 0 0 39 41 2 0 0 0 0 40 41 1 0 0 0 0 40 80 1 0 0 0 0 41 81 1 0 0 0 0 42 43 1 0 0 0 0 42 82 1 0 0 0 0 42 83 1 0 0 0 0 43 44 1 0 0 0 0 43 84 1 0 0 0 0 43 85 1 0 0 0 0 44 86 1 0 0 0 0 44 87 1 0 0 0 0 M END > 60185690 > 1 > 937 > 6 > 1 > 6 > AAADcfB/OAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAABIAAAFgB9AAAHgAACAAADTzhngYyxvMMFgCoAyVyVACCiCAnIiAI2CG+7NgPdvLEtbuXeSrnxhHa6Qe42fOegAABAAAaQAAAAAIAADSAAAAAAAAAAA== > (10S,11S)-10-[[3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl(methyl)amino]methyl]-13-[(1S)-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-[[3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl(methyl)amino]methyl]-13-[(2S)-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-[[3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl(methyl)amino]methyl]-13-[(2S)-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-[[3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl(methyl)amino]methyl]-13-[(2S)-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-[[3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl(methyl)amino]methyl]-11,16-dimethyl-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)-10-[[3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl(methyl)amino]methyl]-13-[(1S)-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/C36H43N3O5/c1-24-19-39(25(2)22-40)36(41)34-33(29-14-7-8-15-30(29)38(34)4)28-13-6-5-11-27(28)23-44-32(24)21-37(3)20-26-12-9-16-31-35(26)43-18-10-17-42-31/h5-9,11-16,24-25,32,40H,10,17-23H2,1-4H3/t24-,25-,32+/m0/s1 > SEJLCTYRTRPGEU-PNRGXICFSA-N > 5.1 > 597.32027148 > C36H43N3O5 > 597.7 > CC1CN(C(=O)C2=C(C3=CC=CC=C3COC1CN(C)CC4=C5C(=CC=C4)OCCCO5)C6=CC=CC=C6N2C)C(C)CO > C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)CC4=C5C(=CC=C4)OCCCO5)C6=CC=CC=C6N2C)[C@@H](C)CO > 76.4 > 597.32027148 > 0 > 44 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 12 6 13 25 6 16 17 8 17 20 8 19 21 8 19 29 8 20 22 8 20 30 8 21 31 8 22 32 8 27 33 8 27 38 8 29 34 8 30 36 8 31 35 8 32 37 8 33 39 8 34 35 8 36 37 8 38 40 8 39 41 8 40 41 8 8 16 8 8 22 8 9 14 5 $$$$