23725064 -OEChem-05102419022D 150156 0 1 0 0 0 0 0999 V2000 8.0280 0.4426 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8941 0.9426 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2960 -1.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7601 -3.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 -0.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2242 -2.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 0.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3582 0.9426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6979 0.9426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3582 1.9426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6883 -2.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2960 -2.5574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8941 -2.0574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4922 -2.5574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2960 -0.5574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4922 -0.5574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9042 -0.6772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4300 1.9426 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7686 -6.9086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6261 1.9426 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4691 5.2164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6979 1.9426 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6261 3.9426 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0280 -2.5574 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4300 -2.0574 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3702 -3.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 -2.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6261 -2.0574 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7273 -4.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1620 -2.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4525 -1.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7601 -2.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4300 -1.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5128 -0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0694 -5.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 -3.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6979 -2.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3582 -1.0574 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2960 0.4426 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2396 0.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3582 -2.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2242 -0.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4266 -5.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6891 -1.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2402 0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1620 0.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4300 0.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 2.4426 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6261 0.9426 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7681 1.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4922 0.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0902 -1.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 3.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7692 1.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7601 0.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 4.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2971 1.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2976 1.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6979 1.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0902 -2.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9563 -0.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0752 4.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.8835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4922 2.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4922 3.4426 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3582 3.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9563 -2.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8223 -1.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8223 -2.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 6.8835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.8835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3582 4.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 7.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.8835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4922 5.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2242 5.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4922 6.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2242 6.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3582 6.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6107 -2.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4300 -2.6774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7687 -3.9720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9071 -3.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0270 -2.8674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1340 -1.7018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3288 -3.7882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1904 -4.5731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0725 -1.0726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5601 -0.4620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2960 -3.1774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4310 -1.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4679 -5.6778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6063 -4.8928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4922 -3.1774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9440 -3.5574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 -4.1774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1840 -3.5574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0079 -1.5204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1610 -1.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3879 -2.5943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3582 -0.4374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7591 0.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9160 -0.5574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6227 -0.0824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8257 -0.0824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0280 -5.4939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8896 -6.2789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6686 -1.9068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5606 1.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7635 1.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1821 -1.0943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4750 -1.1246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1009 2.7526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0892 1.2526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3877 1.0536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1466 3.2306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9651 3.2821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9669 2.2526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1495 1.1611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3616 -0.0323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1586 -0.0323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6247 2.4827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3700 -7.3835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 -7.0162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0056 2.5364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0892 2.2526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5533 -2.3674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9563 0.0626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0757 5.3443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6612 3.9502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4922 4.0626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5702 3.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9688 4.0503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9563 -3.1774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3592 -0.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 7.1935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.5735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3879 1.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3879 2.4796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 8.0035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 7.1935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6261 4.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0892 3.6326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9552 5.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7611 5.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2252 -2.2474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9552 6.7526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7611 6.7526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3582 7.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 46 1 0 0 0 0 2 55 1 0 0 0 0 3 30 2 0 0 0 0 4 32 2 0 0 0 0 5 33 2 0 0 0 0 6 41 2 0 0 0 0 7 47 2 0 0 0 0 8 51 2 0 0 0 0 9 59 2 0 0 0 0 10 65 2 0 0 0 0 11 70 1 0 0 0 0 11147 1 0 0 0 0 12 25 1 0 0 0 0 12 30 1 0 0 0 0 12 91 1 0 0 0 0 13 24 1 0 0 0 0 13 32 1 0 0 0 0 13 92 1 0 0 0 0 14 28 1 0 0 0 0 14 41 1 0 0 0 0 14 95 1 0 0 0 0 15 33 1 0 0 0 0 15 39 1 0 0 0 0 15104 1 0 0 0 0 16 38 1 0 0 0 0 16 51 1 0 0 0 0 16112 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17113 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18119 1 0 0 0 0 19 43 1 0 0 0 0 19124 1 0 0 0 0 19125 1 0 0 0 0 20 49 1 0 0 0 0 20 65 1 0 0 0 0 20127 1 0 0 0 0 21 56 1 0 0 0 0 21 63 1 0 0 0 0 21130 1 0 0 0 0 22 59 1 0 0 0 0 22139 1 0 0 0 0 22140 1 0 0 0 0 23 66 1 0 0 0 0 23143 1 0 0 0 0 23144 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 0 0 0 0 24 81 1 0 0 0 0 25 27 1 0 0 0 0 25 33 1 0 0 0 0 25 82 1 0 0 0 0 26 29 1 0 0 0 0 26 83 1 0 0 0 0 26 84 1 0 0 0 0 27 36 1 0 0 0 0 27 37 1 0 0 0 0 27 85 1 0 0 0 0 28 31 1 0 0 0 0 28 32 1 0 0 0 0 28 86 1 0 0 0 0 29 35 1 0 0 0 0 29 87 1 0 0 0 0 29 88 1 0 0 0 0 31 34 1 0 0 0 0 31 89 1 0 0 0 0 31 90 1 0 0 0 0 34 40 1 0 0 0 0 34 44 2 0 0 0 0 35 43 1 0 0 0 0 35 93 1 0 0 0 0 35 94 1 0 0 0 0 36 96 1 0 0 0 0 36 97 1 0 0 0 0 36 98 1 0 0 0 0 37 99 1 0 0 0 0 37100 1 0 0 0 0 37101 1 0 0 0 0 38 41 1 0 0 0 0 38 42 1 0 0 0 0 38102 1 0 0 0 0 39 46 1 0 0 0 0 39 47 1 0 0 0 0 39103 1 0 0 0 0 40 45 1 0 0 0 0 40 50 2 0 0 0 0 42 52 1 0 0 0 0 42105 1 0 0 0 0 42106 1 0 0 0 0 43107 1 0 0 0 0 43108 1 0 0 0 0 44109 1 0 0 0 0 45 54 2 0 0 0 0 46110 1 0 0 0 0 46111 1 0 0 0 0 48 53 1 0 0 0 0 48 59 1 0 0 0 0 48114 1 0 0 0 0 49 51 1 0 0 0 0 49 55 1 0 0 0 0 49115 1 0 0 0 0 50 57 1 0 0 0 0 50116 1 0 0 0 0 52 60 2 0 0 0 0 52 61 1 0 0 0 0 53 56 1 0 0 0 0 53117 1 0 0 0 0 53118 1 0 0 0 0 54 58 1 0 0 0 0 54120 1 0 0 0 0 55121 1 0 0 0 0 55122 1 0 0 0 0 56 62 2 0 0 0 0 57 58 2 0 0 0 0 57123 1 0 0 0 0 58126 1 0 0 0 0 60 68 1 0 0 0 0 60128 1 0 0 0 0 61 69 2 0 0 0 0 61129 1 0 0 0 0 62 64 1 0 0 0 0 62131 1 0 0 0 0 63 64 1 0 0 0 0 63 71 2 0 0 0 0 64 72 2 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66132 1 0 0 0 0 67 73 1 0 0 0 0 67133 1 0 0 0 0 67134 1 0 0 0 0 68 70 2 0 0 0 0 68135 1 0 0 0 0 69 70 1 0 0 0 0 69136 1 0 0 0 0 71 74 1 0 0 0 0 71137 1 0 0 0 0 72 75 1 0 0 0 0 72138 1 0 0 0 0 73 76 2 0 0 0 0 73 77 1 0 0 0 0 74 75 2 0 0 0 0 74141 1 0 0 0 0 75142 1 0 0 0 0 76 78 1 0 0 0 0 76145 1 0 0 0 0 77 79 2 0 0 0 0 77146 1 0 0 0 0 78 80 2 0 0 0 0 78148 1 0 0 0 0 79 80 1 0 0 0 0 79149 1 0 0 0 0 80150 1 0 0 0 0 M END > 23725064 > 1 > 2080 > 13 > 13 > 18 > AAADcfB//ABgAAAAAAAAAAAAAAAAAWLAAAAwYMGAAAAAAFgB/gAAHgQQCAAADSzF3gS+xvLJkgCoAzV3VACCgCAxIiAI2aG+bJgIZvLC0bOUcAhk1hHI2AecyeCOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > 10-(4-aminobutyl)-N-[2-amino-1-(1H-indol-2-ylmethyl)-2-oxo-ethyl]-19-[(2-amino-3-phenyl-propanoyl)amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-7-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide > 10-(4-aminobutyl)-N-[1-amino-3-(1H-indol-2-yl)-1-oxopropan-2-yl]-19-[(2-amino-1-oxo-3-phenylpropyl)amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloeicosane-4-carboxamide > 10-(4-aminobutyl)-N-[1-amino-3-(1H-indol-2-yl)-1-oxopropan-2-yl]-19-[(2-amino-3-phenylpropanoyl)amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide > 10-(4-aminobutyl)-N-[1-amino-3-(1H-indol-2-yl)-1-oxopropan-2-yl]-19-[(2-amino-3-phenylpropanoyl)amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide > 10-(4-azanylbutyl)-N-[1-azanyl-3-(1H-indol-2-yl)-1-oxidanylidene-propan-2-yl]-19-[(2-azanyl-3-phenyl-propanoyl)amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentakis(oxidanylidene)-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide > 10-(4-aminobutyl)-N-[2-amino-1-(1H-indol-2-ylmethyl)-2-keto-ethyl]-16-(4-hydroxybenzyl)-13-(1H-indol-3-ylmethyl)-7-isopropyl-6,9,12,15,18-pentaketo-19-(phenylalanylamino)-1,2-dithia-5,8,11,14,17-pentazacycloeicosane-4-carboxamide > InChI=1S/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)28-37-26-35-14-6-8-16-41(35)62-37)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-38(70)22-20-34)53(74)66-46(27-36-29-61-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,26,29,32,40,43-49,61-62,70H,10-11,18,23-25,27-28,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73) > GAWXLRUZZFSQON-UHFFFAOYSA-N > 3.6 > 1130.48301420 > C57H70N12O9S2 > 1131.4 > CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)N)C(=O)NC(CC6=CC7=CC=CC=C7N6)C(=O)N > CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)N)C(=O)NC(CC6=CC7=CC=CC=C7N6)C(=O)N > 401 > 1130.48301420 > 0 > 80 > 0 > 8 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 44 8 17 45 8 49 20 3 21 56 8 21 63 8 66 23 3 24 26 3 25 27 3 28 31 3 34 40 8 34 44 8 38 42 3 39 47 3 40 45 8 40 50 8 45 54 8 48 53 3 50 57 8 52 60 8 52 61 8 54 58 8 56 62 8 57 58 8 60 68 8 61 69 8 62 64 8 63 64 8 63 71 8 64 72 8 68 70 8 69 70 8 71 74 8 72 75 8 73 76 8 73 77 8 74 75 8 76 78 8 77 79 8 78 80 8 79 80 8 $$$$