70367765 -OEChem-04182401322D 76 82 0 1 0 0 0 0 0999 V2000 8.4514 6.4734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3454 4.8994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2972 -2.7203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 4.9041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2215 6.4492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4138 -4.6565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6680 -1.9313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7034 3.4041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9810 1.1035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8319 -3.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -2.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8276 -3.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6722 -2.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2457 -2.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4181 -4.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9915 -5.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5734 -6.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5777 -6.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0860 -1.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0818 -0.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3716 1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9664 2.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5695 2.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3603 1.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9350 0.8903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7082 -1.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5664 0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4355 4.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3455 4.9109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5695 4.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4355 3.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7034 4.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7810 -1.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2130 -0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5534 5.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3535 5.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8354 4.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8354 4.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1900 -4.2542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7445 -2.5788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8180 -3.3724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7767 -4.2738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4273 -3.8134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7232 -1.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0726 -1.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7553 -3.1006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6819 -2.3069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 -4.1308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8184 -4.5912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5011 -5.8258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4277 -5.0322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4904 -5.3040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5638 -6.0977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5225 -6.9991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1731 -6.5386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0171 -6.7382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7412 -7.0714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1370 -0.4049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4864 -0.8654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6010 3.2379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4299 2.4262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3177 0.8331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9724 3.0941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8288 -0.6371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1469 -2.1974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3354 6.5260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9443 5.8301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2950 3.7354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1392 3.4987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3759 4.3430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6593 -3.2236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2949 3.7239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1392 3.4872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3759 4.3314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 31 2 1 1 0 0 0 2 40 1 0 0 0 0 3 28 1 0 0 0 0 3 73 1 0 0 0 0 4 34 2 0 0 0 0 5 38 2 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 20 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 8 34 1 0 0 0 0 9 26 2 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 41 1 0 0 0 0 11 13 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 14 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 17 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 18 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 19 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 19 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 21 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 21 22 1 0 0 0 0 21 28 2 0 0 0 0 22 27 1 0 0 0 0 22 29 2 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 23 27 2 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 26 1 0 0 0 0 25 33 2 0 0 0 0 27 64 1 0 0 0 0 28 35 1 0 0 0 0 29 36 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 31 38 1 0 0 0 0 31 39 1 0 0 0 0 32 34 1 0 0 0 0 32 37 1 0 0 0 0 33 65 1 0 0 0 0 35 36 2 0 0 0 0 35 67 1 0 0 0 0 36 66 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 39 70 1 0 0 0 0 39 71 1 0 0 0 0 39 72 1 0 0 0 0 40 74 1 0 0 0 0 40 75 1 0 0 0 0 40 76 1 0 0 0 0 M END > 70367765 > 1 > 1090 > 8 > 1 > 4 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAWAAAAA8WLECAAAAAFix8AAAHgAACAAADGzhngYyzvMIFgCoAyXyXAKCgCAhIiAImCF+bNgJZvbC8ZeWcAhm5hHK+QewwPAOgEABQAAaAAAAgAKAADQAAAAAAAAAAA== > (19S)-7-hydroxy-19-methoxy-19-methyl-8-[[4-(1-piperidyl)-1-piperidyl]methyl]-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione > (19S)-7-hydroxy-19-methoxy-19-methyl-8-[[4-(1-piperidinyl)-1-piperidinyl]methyl]-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]heneicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione > (19S)-7-hydroxy-19-methoxy-19-methyl-8-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione > (19S)-7-hydroxy-19-methoxy-19-methyl-8-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione > (19S)-19-methoxy-19-methyl-7-oxidanyl-8-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione > (19S)-7-hydroxy-19-methoxy-19-methyl-8-[(4-piperidinopiperidino)methyl]-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]heneicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-quinone > InChI=1S/C31H36N4O5/c1-31(39-2)24-15-26-28-19(16-35(26)29(37)23(24)18-40-30(31)38)14-21-22(27(36)7-6-25(21)32-28)17-33-12-8-20(9-13-33)34-10-4-3-5-11-34/h6-7,14-15,20,36H,3-5,8-13,16-18H2,1-2H3/t31-/m0/s1 > SWRIUDKJMVOERD-HKBQPEDESA-N > 1.9 > 544.26857026 > C31H36N4O5 > 544.6 > CC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN6CCC(CC6)N7CCCCC7)O)N=C4C3=C2)OC > C[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN6CCC(CC6)N7CCCCC7)O)N=C4C3=C2)OC > 95.4 > 544.26857026 > 0 > 40 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 31 2 5 21 22 8 21 28 8 22 27 8 22 29 8 23 26 8 23 27 8 25 33 8 28 35 8 29 36 8 30 32 8 30 33 8 32 34 8 35 36 8 8 25 8 8 34 8 9 26 8 9 29 8 $$$$