5485223 -OEChem-05231300502D 98103 0 1 0 0 0 0 0999 V2000 4.1776 4.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1976 2.3046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1952 5.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6986 4.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2337 -1.5688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1910 -2.9519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6407 -7.0598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0357 -6.0331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7233 0.6907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2534 -0.6788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2586 -0.6788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7568 -2.0482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2228 2.2930 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6875 3.1879 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2239 2.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9214 1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2228 2.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2019 4.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5588 1.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7592 3.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2448 4.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 3.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9537 1.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5265 1.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6986 4.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6858 0.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8261 0.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7955 -0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7182 -0.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7955 -1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8596 -1.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6858 -1.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7182 -1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1776 4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5940 -1.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5912 0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5599 -2.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9872 -2.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5588 -2.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9549 -2.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9223 0.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2574 -3.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8521 -1.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2562 -3.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6919 6.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5146 -1.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6676 4.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8502 -4.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5855 -4.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1886 7.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4491 -5.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3131 -1.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0418 -6.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3723 3.7219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2228 2.9130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6028 2.2930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2228 1.6730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 3.1808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5568 4.6308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5153 1.4958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9630 1.4977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8734 -0.6788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6390 -0.7003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5975 3.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2923 3.4157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1405 -2.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9316 -2.2679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9667 -0.0324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0846 0.8365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2157 0.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9897 -2.8283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5510 -2.8220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0007 1.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5421 -1.1424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3152 -1.9894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1622 -2.2163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2154 7.0879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2185 6.2908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9681 -0.9346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1770 -0.8373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2010 5.2014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3515 5.4185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1343 4.5690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3663 -4.7659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2781 -3.9737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1257 -3.9428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1697 -4.8186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0454 -4.7745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7267 7.2512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4965 8.0973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6504 7.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -4.9949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0211 -5.7870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5066 0.4162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9216 -0.5742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7288 -1.9421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0082 -7.5592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 34 1 0 0 0 0 2 22 2 0 0 0 0 3 25 1 0 0 0 0 3 45 1 0 0 0 0 4 25 2 0 0 0 0 5 53 1 0 0 0 0 5 97 1 0 0 0 0 6 53 2 0 0 0 0 7 54 1 0 0 0 0 7 98 1 0 0 0 0 8 54 2 0 0 0 0 9 16 1 0 0 0 0 9 19 2 0 0 0 0 10 26 1 0 0 0 0 10 32 1 0 0 0 0 10 63 1 0 0 0 0 11 27 1 0 0 0 0 11 31 1 0 0 0 0 11 64 1 0 0 0 0 12 39 2 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 22 1 0 0 0 0 14 55 1 0 0 0 0 15 19 1 0 0 0 0 15 20 2 0 0 0 0 16 23 2 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 21 2 0 0 0 0 18 25 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 59 1 0 0 0 0 21 60 1 0 0 0 0 23 26 1 0 0 0 0 23 61 1 0 0 0 0 24 27 2 0 0 0 0 24 62 1 0 0 0 0 26 29 2 0 0 0 0 27 28 1 0 0 0 0 28 30 2 0 0 0 0 28 36 1 0 0 0 0 29 33 1 0 0 0 0 29 41 1 0 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 37 2 0 0 0 0 32 33 2 0 0 0 0 32 38 1 0 0 0 0 33 43 1 0 0 0 0 34 47 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 35 46 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 37 39 1 0 0 0 0 37 72 1 0 0 0 0 38 40 2 0 0 0 0 38 73 1 0 0 0 0 39 42 1 0 0 0 0 40 44 1 0 0 0 0 41 51 2 0 0 0 0 41 74 1 0 0 0 0 42 44 2 0 0 0 0 42 48 1 0 0 0 0 43 75 1 0 0 0 0 43 76 1 0 0 0 0 43 77 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 45 78 1 0 0 0 0 45 79 1 0 0 0 0 46 53 1 0 0 0 0 46 80 1 0 0 0 0 46 81 1 0 0 0 0 47 82 1 0 0 0 0 47 83 1 0 0 0 0 47 84 1 0 0 0 0 48 52 1 0 0 0 0 48 85 1 0 0 0 0 48 86 1 0 0 0 0 49 87 1 0 0 0 0 49 88 1 0 0 0 0 49 89 1 0 0 0 0 50 90 1 0 0 0 0 50 91 1 0 0 0 0 50 92 1 0 0 0 0 51 95 1 0 0 0 0 51 96 1 0 0 0 0 52 54 1 0 0 0 0 52 93 1 0 0 0 0 52 94 1 0 0 0 0 M END > 5485223 > 1 > 1510 > 10 > 4 > 13 > AAADcfB/vAAAAAAAAAAAAAAAAAAAAWLFiwAgAAAAAAAAAEAB/gAAHgAQCAAADwihngIyyLLJlgCoAyTyTACCgCAhAiAImSEwZNgIJHLA8dGGdAhk0ADI6Yf/2fOfgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > InChI=1S/C42H44N4O8/c1-8-24-21(4)29-17-30-22(5)25(12-15-37(47)48)32(43-30)19-33-26(13-16-38(49)50)23(6)31(44-33)18-35-28-14-11-27(40(51)53-9-2)39(41(52)54-10-3)42(28,7)36(46-35)20-34(24)45-29/h8,11,14,17-20,39,44-45H,1,9-10,12-13,15-16H2,2-7H3,(H,47,48)(H,49,50) > UYFSAPNRJIQXGN-UHFFFAOYSA-N > 5.3 > 732.315914 > C42H44N4O8 > 732.82076 > CCOC(=O)C1C(=CC=C2C1(C3=NC2=CC4=C(C(=C(N4)C=C5C(=C(C(=N5)C=C6C(=C(C(=C3)N6)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C)C(=O)OCC > CCOC(=O)C1C(=CC=C2C1(C3=NC2=CC4=C(C(=C(N4)C=C5C(=C(C(=N5)C=C6C(=C(C(=C3)N6)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C)C(=O)OCC > 185 > 732.315914 > 0 > 54 > 0 > 2 > 0 > 0 > 0 > 1 > 1001 > 1 5 255 > 10 26 8 10 32 8 11 27 8 11 31 8 12 39 8 12 40 8 13 17 3 14 22 3 16 23 8 19 24 8 23 26 8 24 27 8 26 29 8 27 28 8 28 30 8 29 33 8 30 31 8 31 37 8 32 33 8 32 38 8 37 39 8 38 40 8 9 16 8 9 19 8 $$$$