3081907 -OEChem-05052412042D 147147 0 0 0 0 0 0 0999 V2000 9.7340 4.6218 0.0000 Lu 0 1 0 0 0 0 0 0 0 0 0 0 2.6631 4.6048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5108 4.8711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0369 10.8237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0551 10.8237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5369 11.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5551 11.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 13.4218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5551 13.4218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0369 14.2878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0550 14.2878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9680 5.2646 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.5001 3.9790 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.1568 6.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0001 3.1130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0460 17.6908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0912 3.8557 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 7.6799 5.4254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4799 5.3802 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0278 7.3124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0641 7.3124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5822 2.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6003 2.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2675 3.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9149 3.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1132 4.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0467 4.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9944 1.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2695 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0875 4.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0950 4.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2992 3.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8833 3.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2956 4.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9127 4.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1132 5.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0467 5.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3881 4.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7787 4.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0815 6.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0784 6.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4011 0.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9604 0.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3700 6.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7898 6.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5706 4.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6448 4.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2932 7.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7637 7.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5369 8.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5551 8.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0278 9.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0641 9.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5369 9.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5551 9.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0369 10.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0551 10.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5369 11.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5551 11.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0369 12.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0551 12.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0369 12.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0551 12.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 13.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5551 13.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0369 14.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0550 14.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 15.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5550 15.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0813 6.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0004 2.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1416 6.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0001 3.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5637 1.9259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4804 1.1332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8169 1.2548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6512 2.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8385 3.1570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3440 3.1570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9414 3.8316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7352 3.9033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5142 3.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3112 3.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7423 5.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9485 5.1978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1773 5.3460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3802 5.3460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8347 0.3142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6533 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9675 0.8186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3708 0.7863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7688 0.0051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5501 0.4032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7849 7.0644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9093 7.0185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9552 6.1428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2047 6.0976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2506 6.9732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3750 7.0191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2164 3.6759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0102 3.7476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2462 3.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0433 3.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8814 7.7085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1759 7.6353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1562 4.2478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0477 4.5611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4078 9.0759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6841 9.0759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4543 10.6117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1446 10.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9474 10.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6377 10.6116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1195 11.9018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4293 12.3003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6627 12.3003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9724 11.9018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6195 12.7678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9293 13.1663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1627 13.1663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4724 12.7678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4543 12.3437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1446 11.9452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9474 11.9452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6377 12.3437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9543 13.2098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6446 12.8112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4474 12.8112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1377 13.2097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6195 14.4999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9293 14.8984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1627 14.8984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4724 14.4999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 15.4639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 15.6908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 14.8439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0920 14.8438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8650 15.6908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0181 15.4638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2934 6.0088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6639 6.8035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8693 7.1740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3804 2.1129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0006 1.4931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6204 2.1133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5829 18.0008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5091 18.0008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 46 1 0 0 0 0 2106 1 0 0 0 0 3 47 1 0 0 0 0 3107 1 0 0 0 0 4 54 1 0 0 0 0 4 56 1 0 0 0 0 5 55 1 0 0 0 0 5 57 1 0 0 0 0 6 58 1 0 0 0 0 6 60 1 0 0 0 0 7 59 1 0 0 0 0 7 61 1 0 0 0 0 8 62 1 0 0 0 0 8 64 1 0 0 0 0 9 63 1 0 0 0 0 9 65 1 0 0 0 0 10 66 1 0 0 0 0 10 68 1 0 0 0 0 11 67 1 0 0 0 0 11 69 1 0 0 0 0 12 72 1 0 0 0 0 13 73 1 0 0 0 0 14 72 2 0 0 0 0 15 73 2 0 0 0 0 16146 1 0 0 0 0 16147 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 18 30 2 0 0 0 0 18 40 1 0 0 0 0 19 31 2 0 0 0 0 19 41 1 0 0 0 0 20 48 1 0 0 0 0 20 50 2 0 0 0 0 21 49 1 0 0 0 0 21 51 2 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 28 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 0 0 0 0 24 32 2 0 0 0 0 25 33 2 0 0 0 0 26 30 1 0 0 0 0 26 34 1 0 0 0 0 26 36 2 0 0 0 0 27 31 1 0 0 0 0 27 35 1 0 0 0 0 27 37 2 0 0 0 0 28 42 1 0 0 0 0 28 74 1 0 0 0 0 28 75 1 0 0 0 0 29 43 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 32 78 1 0 0 0 0 33 79 1 0 0 0 0 34 38 1 0 0 0 0 34 80 1 0 0 0 0 34 81 1 0 0 0 0 35 39 1 0 0 0 0 35 82 1 0 0 0 0 35 83 1 0 0 0 0 36 40 1 0 0 0 0 36 44 1 0 0 0 0 37 41 1 0 0 0 0 37 45 1 0 0 0 0 38 46 1 0 0 0 0 38 84 1 0 0 0 0 38 85 1 0 0 0 0 39 47 1 0 0 0 0 39 86 1 0 0 0 0 39 87 1 0 0 0 0 40 48 2 0 0 0 0 41 49 2 0 0 0 0 42 88 1 0 0 0 0 42 89 1 0 0 0 0 42 90 1 0 0 0 0 43 91 1 0 0 0 0 43 92 1 0 0 0 0 43 93 1 0 0 0 0 44 94 1 0 0 0 0 44 95 1 0 0 0 0 44 96 1 0 0 0 0 45 97 1 0 0 0 0 45 98 1 0 0 0 0 45 99 1 0 0 0 0 46100 1 0 0 0 0 46101 1 0 0 0 0 47102 1 0 0 0 0 47103 1 0 0 0 0 48104 1 0 0 0 0 49105 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 51 53 1 0 0 0 0 52 54 2 0 0 0 0 52108 1 0 0 0 0 53 55 2 0 0 0 0 53109 1 0 0 0 0 54 55 1 0 0 0 0 56 58 1 0 0 0 0 56110 1 0 0 0 0 56111 1 0 0 0 0 57 59 1 0 0 0 0 57112 1 0 0 0 0 57113 1 0 0 0 0 58114 1 0 0 0 0 58115 1 0 0 0 0 59116 1 0 0 0 0 59117 1 0 0 0 0 60 62 1 0 0 0 0 60118 1 0 0 0 0 60119 1 0 0 0 0 61 63 1 0 0 0 0 61120 1 0 0 0 0 61121 1 0 0 0 0 62122 1 0 0 0 0 62123 1 0 0 0 0 63124 1 0 0 0 0 63125 1 0 0 0 0 64 66 1 0 0 0 0 64126 1 0 0 0 0 64127 1 0 0 0 0 65 67 1 0 0 0 0 65128 1 0 0 0 0 65129 1 0 0 0 0 66130 1 0 0 0 0 66131 1 0 0 0 0 67132 1 0 0 0 0 67133 1 0 0 0 0 68134 1 0 0 0 0 68135 1 0 0 0 0 68136 1 0 0 0 0 69137 1 0 0 0 0 69138 1 0 0 0 0 69139 1 0 0 0 0 70 72 1 0 0 0 0 70140 1 0 0 0 0 70141 1 0 0 0 0 70142 1 0 0 0 0 71 73 1 0 0 0 0 71143 1 0 0 0 0 71144 1 0 0 0 0 71145 1 0 0 0 0 M CHG 4 1 3 12 -1 13 -1 17 -1 M END > 3081907 > 1 > 1900 > 20 > 3 > 28 > AAADcfB/vAAAAAAAAAACAAAAAAAAAQIEAAAgAAAAAAAAAAAAAAAAHgAACAAADAzhgAYCCAIABgCoAyT2TACACAAgIgAACAAwABgJFAIAoAAGUAAEgACKoAOAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propan-1-ol;lutetium(3+);diacetate;hydrate > 3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]-1-propanol;lutetium(3+);diacetate;hydrate > 3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propan-1-ol;lutetium(3+);diacetate;hydrate > 3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propan-1-ol;lutetium(3+);diacetate;hydrate > 3-[4,5-diethyl-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-24-(3-oxidanylpropyl)-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propan-1-ol;lutetium(3+);diethanoate;hydrate > 3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propan-1-ol;lutetium(3+);diacetate;hydrate > InChI=1S/C48H66N5O10.2C2H4O2.Lu.H2O/c1-7-35-36(8-2)40-28-42-38(12-10-14-55)34(4)46(53-42)32-50-44-30-48(63-26-24-61-22-20-59-18-16-57-6)47(62-25-23-60-21-19-58-17-15-56-5)29-43(44)49-31-45-33(3)37(11-9-13-54)41(52-45)27-39(35)51-40;2*1-2(3)4;;/h27-32,54-55H,7-26H2,1-6H3;2*1H3,(H,3,4);;1H2/q-1;;;+3;/p-2 > WIQKYZYFTAEWBF-UHFFFAOYSA-L > 1183.45892 > C52H74LuN5O15 > 1184.1 > CCC1=C(C2=CC3=NC(=CN=C4C=C(C(=CC4=NC=C5C(=C(C(=N5)C=C1[N-]2)CCCO)C)OCCOCCOCCOC)OCCOCCOCCOC)C(=C3CCCO)C)CC.CC(=O)[O-].CC(=O)[O-].O.[Lu+3] > CCC1=C(C2=CC3=NC(=CN=C4C=C(C(=CC4=NC=C5C(=C(C(=N5)C=C1[N-]2)CCCO)C)OCCOCCOCCOC)OCCOCCOCCOC)C(=C3CCCO)C)CC.CC(=O)[O-].CC(=O)[O-].O.[Lu+3] > 246 > 1183.45892 > 0 > 73 > 0 > 0 > 0 > 0 > 0 > 5 > -1 > 1 5 255 > 17 24 8 17 25 8 18 30 8 18 40 8 19 31 8 19 41 8 20 48 8 20 50 8 21 49 8 21 51 8 22 23 8 22 24 8 23 25 8 24 32 8 25 33 8 30 32 8 31 33 8 40 48 8 41 49 8 50 51 8 50 52 8 51 53 8 52 54 8 53 55 8 54 55 8 $$$$