Mrv1909 02092318202D 145148 0 0 1 0 999 V2000 -5.4581 2.0930 0.0000 Lu 0 1 0 0 0 0 0 0 0 0 0 0 24.1141 -1.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3820 -1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3454 -0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6134 -0.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5768 0.7651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.8447 1.1455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.1492 0.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1858 -0.1225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4172 1.0821 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.3806 1.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0760 2.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8438 2.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3681 2.6853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.9243 3.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1258 3.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5471 3.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7670 4.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5655 4.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1442 4.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7217 0.6383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9896 1.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9530 1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2942 0.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5621 0.9553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8666 0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9032 -0.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1346 0.8919 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0980 1.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7934 2.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7568 2.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4523 3.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1843 3.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8798 3.4913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2210 2.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5255 1.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4391 0.4481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7070 0.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6704 1.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0116 0.3847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0482 -0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2795 0.7651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5840 0.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6206 -0.5029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8519 0.7017 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8153 1.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0833 1.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0467 2.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3146 3.1109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7421 3.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1565 0.2579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4244 0.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3878 1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7289 0.1945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7656 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0701 -1.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1067 -1.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8388 -2.2781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4112 -2.3415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9969 0.5749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3014 0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3380 -0.6931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5693 0.5115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5327 1.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2282 1.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1916 2.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4595 2.9841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8871 3.0475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8739 0.0677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1418 0.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1052 1.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4463 0.0043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4829 -0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2150 -1.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2516 -2.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5562 -2.4683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9837 -2.4049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7143 0.3847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0188 -0.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0554 -0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2867 0.3213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2501 1.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9456 1.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9090 2.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1769 2.7939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6045 2.8573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5913 -0.1225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8592 0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8226 1.0821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1637 -0.1859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2003 -1.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9324 -1.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 -2.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2736 -2.6585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7011 -2.5951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4317 0.1945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2638 -0.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2272 -1.0735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9959 0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6913 -0.3127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 0.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7456 0.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3025 0.0432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7463 0.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5705 0.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0143 1.3976 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.9509 -0.0300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0891 -0.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2671 -1.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6584 -1.5679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3539 -2.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0859 -1.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1225 -0.8071 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.7814 -2.0751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4097 -2.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6042 -2.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0472 -1.9238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6035 -2.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9838 -3.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5401 -4.0468 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.8080 -3.3880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2606 -1.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0827 -0.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2722 1.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2356 2.0331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0043 0.8285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.6998 1.2723 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.6632 2.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3586 2.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3220 3.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0907 2.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4318 0.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4684 0.0677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1273 1.3357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.8594 0.9553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.5548 1.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5182 2.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7862 2.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7496 3.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4450 3.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1771 3.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2137 2.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8960 0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6280 -0.2493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.2005 -0.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 0 0 0 0 6 7 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 10 8 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 12 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 15 20 1 0 0 0 0 10 21 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 28 26 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 30 36 1 0 0 0 0 28 37 1 1 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 40 38 1 0 0 0 0 40 41 1 6 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 45 43 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 2 0 0 0 0 45 51 1 6 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 54 52 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 57 59 2 0 0 0 0 54 60 1 1 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 63 61 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 68 2 0 0 0 0 63 69 1 6 0 0 0 69 70 1 0 0 0 0 70 71 2 0 0 0 0 72 70 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 77 2 0 0 0 0 72 78 1 1 0 0 0 78 79 1 0 0 0 0 79 80 2 0 0 0 0 81 79 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 81 87 1 6 0 0 0 87 88 1 0 0 0 0 88 89 2 0 0 0 0 90 88 1 0 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 90 96 1 1 0 0 0 96 97 1 0 0 0 0 97 98 2 0 0 0 0 97 99 1 0 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 103108 1 0 0 0 0 108109 1 0 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112114 2 0 0 0 0 110115 1 0 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119121 2 0 0 0 0 117122 1 0 0 0 0 122123 1 0 0 0 0 100123 1 0 0 0 0 6124 1 0 0 0 0 124125 2 0 0 0 0 124126 1 0 0 0 0 127126 1 1 0 0 0 127128 1 0 0 0 0 128129 1 0 0 0 0 129130 1 0 0 0 0 129131 2 0 0 0 0 127132 1 0 0 0 0 132133 2 0 0 0 0 132134 1 0 0 0 0 135134 1 1 0 0 0 135136 1 0 0 0 0 136137 1 0 0 0 0 137138 2 0 0 0 0 138139 1 0 0 0 0 139140 2 0 0 0 0 140141 1 0 0 0 0 141142 2 0 0 0 0 137142 1 0 0 0 0 135143 1 0 0 0 0 143144 1 0 0 0 0 143145 2 0 0 0 0 M CHG 4 1 3 106 -1 113 -1 120 -1 M ISO 1 1 177 M END > DB17503 > drugbank > [177Lu+3].CCCC[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)CNC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)CN1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O > InChI=1S/C90H123N19O35.Lu/c1-3-4-13-56(83(137)105-66(42-75(125)126)90(144)103-63(79(91)133)39-50-10-6-5-7-11-50)97-89(143)65(41-52-43-92-55-14-9-8-12-54(52)55)96-67(111)44-93-81(135)64(40-51-15-17-53(110)18-16-51)104-80(134)49(2)94-82(136)58(20-26-70(115)116)98-85(139)60(22-28-72(119)120)100-87(141)62(24-30-74(123)124)102-88(142)61(23-29-73(121)122)101-86(140)59(21-27-71(117)118)99-84(138)57(19-25-69(113)114)95-68(112)45-106-31-33-107(46-76(127)128)35-37-109(48-78(131)132)38-36-108(34-32-106)47-77(129)130;/h5-12,14-18,43,49,56-66,92,110H,3-4,13,19-42,44-48H2,1-2H3,(H2,91,133)(H,93,135)(H,94,136)(H,95,112)(H,96,111)(H,97,143)(H,98,139)(H,99,138)(H,100,141)(H,101,140)(H,102,142)(H,103,144)(H,104,134)(H,105,137)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132);/q;+3/p-3/t49-,56-,57+,58+,59+,60+,61+,62+,63-,64-,65-,66-;/m0./s1/i;1+2 > DTEPIUGEQLNRHF-XMGMVKEQSA-K > C90H120LuN19O35 > 2204.992 > 2203.763176627 > 39 > 265 > -9.234413117753602 > 202.19284580297995 > 0 > 23 > 0 > 0 > (177Lu)lutetium(3+) 2-[4-({[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-2-carboxyethyl]carbamoyl}pentyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}-3-carboxypropyl]carbamoyl}-3-carboxypropyl]carbamoyl}-3-carboxypropyl]carbamoyl}-3-carboxypropyl]carbamoyl}-3-carboxypropyl]carbamoyl}-3-carboxypropyl]carbamoyl}methyl)-7,10-bis(carboxylatomethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetate > 0.28 > -6.948823139333337 > -3.85 > 1 > -9 > 5 > -9 > 3.272256633398208 > 2.908352847318153 > 851.8600000000001 > 522.5488000000006 > 63 > 0 > 3.26e-01 g/l > 6-{[6-(4-aminobenzenesulfonamido)pyridin-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid > 0 > DB17503 > investigational > PP-F11N lutetium Lu-177 > Lutetium lu 177 pp-f11n $$$$