60187445 -OEChem-04192407102D 82 86 0 1 0 0 0 0 0999 V2000 6.6115 -0.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8186 -1.8643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6774 -5.0690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3598 1.4035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7596 2.0663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8905 5.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1938 -2.8784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0363 -4.0432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9856 0.3491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3186 -1.4124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6115 -0.7053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0598 -2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4526 -3.8443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9942 0.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2846 -1.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -3.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 -2.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -2.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6425 -3.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 -1.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -1.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0476 -4.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -1.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4185 -4.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7455 -4.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7041 -4.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6144 -3.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4695 -1.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4527 -4.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2616 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5944 -0.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3683 1.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -4.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4614 -0.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3635 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7425 2.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7339 2.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1337 3.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1166 3.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5164 4.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5078 4.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8820 5.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4791 -0.8136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2671 -0.1898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2203 -2.9772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6798 -2.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8537 -3.6838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0212 0.8379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3889 0.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4450 -1.7525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8834 -0.9932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1241 -0.5548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8015 -2.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6485 -1.8814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0362 -4.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4726 -3.4855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -4.1130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -4.9898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1839 -4.9898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2427 -5.2016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1182 -5.2490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1656 -4.3734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3683 -2.5462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9362 -1.3807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7119 -5.5570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8020 0.2739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1025 -0.8217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9718 -0.9362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0863 -0.0669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3836 -3.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0599 -5.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9233 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3659 1.1179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2762 -5.2295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1113 1.9660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5190 3.0398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7313 3.4627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1390 4.5365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9629 4.6148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4967 5.3104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8010 5.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 20 1 0 0 0 0 2 17 2 0 0 0 0 3 24 1 0 0 0 0 3 75 1 0 0 0 0 4 32 1 0 0 0 0 4 37 1 0 0 0 0 5 32 2 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 8 16 1 0 0 0 0 8 22 1 0 0 0 0 8 26 1 0 0 0 0 9 14 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 6 0 0 0 10 44 1 0 0 0 0 11 14 1 1 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 24 1 0 0 0 0 13 25 1 1 0 0 0 13 48 1 0 0 0 0 14 49 1 0 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 19 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 27 2 0 0 0 0 20 23 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 23 1 0 0 0 0 21 28 2 0 0 0 0 22 29 2 0 0 0 0 23 30 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 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 33 1 0 0 0 0 27 64 1 0 0 0 0 28 35 1 0 0 0 0 28 65 1 0 0 0 0 29 34 1 0 0 0 0 29 66 1 0 0 0 0 30 36 1 0 0 0 0 30 67 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 33 34 2 0 0 0 0 33 71 1 0 0 0 0 34 72 1 0 0 0 0 35 36 2 0 0 0 0 35 73 1 0 0 0 0 36 74 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 76 1 0 0 0 0 39 41 2 0 0 0 0 39 77 1 0 0 0 0 40 42 2 0 0 0 0 40 78 1 0 0 0 0 41 42 1 0 0 0 0 41 79 1 0 0 0 0 43 80 1 0 0 0 0 43 81 1 0 0 0 0 43 82 1 0 0 0 0 M END > 60187445 > 1 > 928 > 6 > 1 > 7 > AAADcfB/OAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAACAAADTzhngYyzvMMFgCoAyVyXACCiCAnIiAI2CG+bNgOdvLEtbufcyhmxhHY6QfY2fOegQAAAAASAAACAAAAACQAAAAAAAAAAA== > (4-methoxyphenyl) N-[[(10R,11R)-13-[(1R)-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-carbamate > N-[[(10R,11R)-13-[(2R)-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-methylcarbamic acid (4-methoxyphenyl) ester > (4-methoxyphenyl) N-[[(10R,11R)-13-[(2R)-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-methylcarbamate > (4-methoxyphenyl) N-[[(10R,11R)-13-[(2R)-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-methylcarbamate > (4-methoxyphenyl) N-[[(10R,11R)-11,16-dimethyl-14-oxidanylidene-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-10-yl]methyl]-N-methyl-carbamate > N-[[(10R,11R)-13-[(1R)-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-carbamic acid (4-methoxyphenyl) ester > InChI=1S/C34H39N3O6/c1-22-18-37(23(2)20-38)33(39)32-31(28-12-8-9-13-29(28)36(32)4)27-11-7-6-10-24(27)21-42-30(22)19-35(3)34(40)43-26-16-14-25(41-5)15-17-26/h6-17,22-23,30,38H,18-21H2,1-5H3/t22-,23-,30+/m1/s1 > GJOJXAGJJJAKQV-JWUQWVJQSA-N > 4.9 > 585.28388597 > C34H39N3O6 > 585.7 > CC1CN(C(=O)C2=C(C3=CC=CC=C3COC1CN(C)C(=O)OC4=CC=C(C=C4)OC)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)OC4=CC=C(C=C4)OC)C5=CC=CC=C5N2C)[C@H](C)CO > 93.5 > 585.28388597 > 0 > 43 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 15 6 11 14 5 13 25 5 16 18 8 18 19 8 19 22 8 19 27 8 21 23 8 21 28 8 22 29 8 23 30 8 27 33 8 28 35 8 29 34 8 30 36 8 33 34 8 35 36 8 37 38 8 37 39 8 38 40 8 39 41 8 40 42 8 41 42 8 8 16 8 8 22 8 $$$$