46903258 -OEChem-04252409242D 83 87 0 1 0 0 0 0 0999 V2000 6.6115 -0.1781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8186 -1.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6774 -4.5418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7596 2.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1938 -2.3512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9856 0.8763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0363 -3.5160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3186 -0.8852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6115 -0.1781 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0598 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9942 0.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4526 -3.3171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2846 -0.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -2.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 -2.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -2.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 -1.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6425 -2.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -1.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0476 -3.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4185 -3.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7455 -4.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3683 1.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5944 0.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3598 1.9307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7041 -4.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6144 -2.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4695 -0.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4527 -4.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2616 0.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4614 0.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -4.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3635 1.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7425 2.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9685 1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7339 2.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1337 3.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1166 3.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5164 4.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5078 4.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4791 -0.2864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2671 0.3374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2203 -2.4500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6798 -1.8512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0212 1.3652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3889 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8537 -3.1566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4450 -1.2253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8834 -0.4660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1241 -0.0276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8015 -1.5811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6485 -1.3542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0362 -3.5219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4726 -2.9583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -3.5858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -4.4626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1839 -4.4626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1025 -0.2945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9718 -0.4090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0863 0.4603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1225 1.3579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2427 -4.6743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1182 -4.7218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1656 -3.8462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3683 -2.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9362 -0.8535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7119 -5.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8020 0.8011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3836 -3.3549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9233 0.8122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0599 -4.8704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3659 1.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2762 -4.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4767 0.7599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3460 0.6454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4604 1.5148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1113 2.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5190 3.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7313 3.9899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1390 5.0637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7451 5.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 17 1 0 0 0 0 2 15 2 0 0 0 0 3 22 1 0 0 0 0 3 75 1 0 0 0 0 4 24 2 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 6 11 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 14 1 0 0 0 0 7 20 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 6 0 0 0 8 43 1 0 0 0 0 9 11 1 1 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 47 1 0 0 0 0 11 48 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 6 0 0 0 12 49 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 21 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 20 1 0 0 0 0 18 28 2 0 0 0 0 19 21 1 0 0 0 0 19 29 2 0 0 0 0 20 30 2 0 0 0 0 21 31 2 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 26 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 36 1 0 0 0 0 26 37 1 1 0 0 0 26 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 28 32 1 0 0 0 0 28 67 1 0 0 0 0 29 33 1 0 0 0 0 29 68 1 0 0 0 0 30 34 1 0 0 0 0 30 69 1 0 0 0 0 31 35 1 0 0 0 0 31 70 1 0 0 0 0 32 34 2 0 0 0 0 32 71 1 0 0 0 0 33 35 2 0 0 0 0 33 72 1 0 0 0 0 34 73 1 0 0 0 0 35 74 1 0 0 0 0 36 38 2 0 0 0 0 36 39 1 0 0 0 0 37 76 1 0 0 0 0 37 77 1 0 0 0 0 37 78 1 0 0 0 0 38 40 1 0 0 0 0 38 79 1 0 0 0 0 39 41 2 0 0 0 0 39 80 1 0 0 0 0 40 42 2 0 0 0 0 40 81 1 0 0 0 0 41 42 1 0 0 0 0 41 82 1 0 0 0 0 42 83 1 0 0 0 0 M END > 46903258 > 1 > 909 > 4 > 1 > 6 > AAADcfB/OAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAACAAADTzhngYywPMMFgCoAyVyVACCgCAnAiAI2CG4bNgKdvLAtbmXcQhmxgHY6QeY2fOegAAAAAASAAAAAAAAACQAAAAAAAAAAA== > (2R)-N-[[(10R,11R)-13-[(1S)-2-hydroxy-1-methyl-ethyl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methyl-2-phenyl-propanamide > (2R)-N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methyl-2-phenylpropanamide > (2R)-N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methyl-2-phenylpropanamide > (2R)-N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methyl-2-phenylpropanamide > (2R)-N-[[(10R,11R)-11,16-dimethyl-14-oxidanylidene-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-10-yl]methyl]-N-methyl-2-phenyl-propanamide > (2R)-N-[[(10R,11R)-13-[(1S)-2-hydroxy-1-methyl-ethyl]-14-keto-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-10-yl]methyl]-N-methyl-2-phenyl-propionamide > InChI=1S/C35H41N3O4/c1-23-19-38(24(2)21-39)35(41)33-32(29-17-11-12-18-30(29)37(33)5)28-16-10-9-15-27(28)22-42-31(23)20-36(4)34(40)25(3)26-13-7-6-8-14-26/h6-18,23-25,31,39H,19-22H2,1-5H3/t23-,24+,25-,31+/m1/s1 > ZRNCNNBGZGRNEO-FXIKWKPTSA-N > 5.1 > 567.30970680 > C35H41N3O4 > 567.7 > CC1CN(C(=O)C2=C(C3=CC=CC=C3COC1CN(C)C(=O)C(C)C4=CC=CC=C4)C5=CC=CC=C5N2C)C(C)CO > C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H](C)C4=CC=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO > 75 > 567.30970680 > 0 > 42 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 23 6 14 16 8 16 18 8 18 20 8 18 28 8 19 21 8 19 29 8 20 30 8 21 31 8 26 37 5 28 32 8 29 33 8 30 34 8 31 35 8 32 34 8 33 35 8 36 38 8 36 39 8 38 40 8 39 41 8 40 42 8 41 42 8 7 14 8 7 20 8 8 13 6 9 11 5 $$$$