71524446 -OEChem-03282414382D 141147 0 1 0 0 0 0 0999 V2000 9.1949 0.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3289 0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 1.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3289 1.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1949 2.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9270 -0.7771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3289 -1.2771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9270 -5.1913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7930 1.7229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 0.7229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7930 -6.6913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6590 -5.1913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 3.7229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7308 -3.7771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2571 0.7229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 3.2229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7899 0.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2930 6.2527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8648 -5.2771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9988 -3.7771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9892 0.7229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1231 -0.7771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 -1.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 -2.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7681 -1.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3538 -1.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 -3.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1949 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9270 -4.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9270 0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 -0.7771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7930 0.7229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5968 -1.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6590 0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 -2.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5251 0.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7930 -5.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9270 2.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7308 -2.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3911 0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 1.7229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9270 3.2229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7308 2.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7930 3.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 2.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3289 3.7229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8648 1.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7930 4.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1949 3.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3289 4.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 2.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5977 5.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8648 -4.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1231 0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7617 0.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9883 5.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2871 6.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 5.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 3.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5762 5.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 1.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9549 7.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 3.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2441 5.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 4.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 6.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9334 6.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7308 5.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 6.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7308 6.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4881 -2.9286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2065 -2.4226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2065 -1.5458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9154 -1.5458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9154 -2.4226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4504 -3.5837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8489 -4.2739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4639 -1.0871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5376 -4.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1390 -3.6087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3289 -1.8971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 -1.3971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3299 1.0329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3848 -0.6945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9863 -1.3848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2605 -0.2521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0576 -0.2521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3299 2.0329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8089 -2.8597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2074 -2.1694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9236 1.1978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1265 1.1978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0599 0.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5188 -2.1945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1202 -2.8848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9925 -0.2521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7896 -0.2521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0599 1.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9270 3.8429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3299 -7.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2561 -7.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1960 -5.5013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6590 -4.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1293 2.6978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3323 2.6978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0051 3.1403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4036 3.8306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 4.3429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7920 4.0329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9259 3.5329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9395 4.6152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5410 5.3055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2232 0.3201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3989 5.1139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5397 -0.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9268 6.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 3.5400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7689 4.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3279 -5.5871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4017 -5.5871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4618 -4.0871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9988 -3.1571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5261 0.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9892 1.3429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6601 -1.0871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5862 -1.0871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 1.1285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7623 7.5906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 3.8741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8508 5.7167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 4.1029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9998 6.5329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 2.6683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3475 7.2566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1939 4.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 7.3429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1939 6.5329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 2 0 0 0 0 2 31 2 0 0 0 0 3 36 2 0 0 0 0 4 40 2 0 0 0 0 5 47 2 0 0 0 0 6 51 2 0 0 0 0 7 24 1 0 0 0 0 7 31 1 0 0 0 0 7 82 1 0 0 0 0 8 29 1 0 0 0 0 8 32 1 0 0 0 0 8 85 1 0 0 0 0 9 30 1 0 0 0 0 9 39 2 0 0 0 0 10 33 1 0 0 0 0 10 40 1 0 0 0 0 10 92 1 0 0 0 0 11 36 1 0 0 0 0 11 43 1 0 0 0 0 11 97 1 0 0 0 0 12 39 1 0 0 0 0 12104 1 0 0 0 0 12105 1 0 0 0 0 13 39 1 0 0 0 0 13106 1 0 0 0 0 13107 1 0 0 0 0 14 44 1 0 0 0 0 14 51 1 0 0 0 0 14112 1 0 0 0 0 15 41 1 0 0 0 0 15 55 2 0 0 0 0 16 42 1 0 0 0 0 16 56 2 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17114 1 0 0 0 0 18 57 1 0 0 0 0 18 59 1 0 0 0 0 18119 1 0 0 0 0 19 58 1 0 0 0 0 19 60 1 0 0 0 0 19120 1 0 0 0 0 20 55 1 0 0 0 0 20123 1 0 0 0 0 20124 1 0 0 0 0 21 55 1 0 0 0 0 21125 1 0 0 0 0 21126 1 0 0 0 0 22 56 1 0 0 0 0 22127 1 0 0 0 0 22128 1 0 0 0 0 23 56 1 0 0 0 0 23129 1 0 0 0 0 23130 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 25 75 1 0 0 0 0 26 76 1 0 0 0 0 26 77 1 0 0 0 0 27 78 1 0 0 0 0 27 79 1 0 0 0 0 28 30 1 0 0 0 0 28 80 1 0 0 0 0 28 81 1 0 0 0 0 30 83 1 0 0 0 0 30 84 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 1 0 0 0 32 36 1 0 0 0 0 32 86 1 0 0 0 0 33 35 1 1 0 0 0 33 87 1 0 0 0 0 34 37 1 0 0 0 0 34 88 1 0 0 0 0 34 89 1 0 0 0 0 35 38 1 0 0 0 0 35 90 1 0 0 0 0 35 91 1 0 0 0 0 37 41 1 0 0 0 0 37 93 1 0 0 0 0 37 94 1 0 0 0 0 38 42 1 0 0 0 0 38 95 1 0 0 0 0 38 96 1 0 0 0 0 40 44 1 0 0 0 0 41 98 1 0 0 0 0 41 99 1 0 0 0 0 42100 1 0 0 0 0 42101 1 0 0 0 0 43 45 1 1 0 0 0 43 47 1 0 0 0 0 43102 1 0 0 0 0 44 46 1 1 0 0 0 44103 1 0 0 0 0 45 49 1 0 0 0 0 45108 1 0 0 0 0 45109 1 0 0 0 0 46 50 1 0 0 0 0 46110 1 0 0 0 0 46111 1 0 0 0 0 48 51 1 0 0 0 0 48 52 1 1 0 0 0 48113 1 0 0 0 0 49 53 1 0 0 0 0 49 57 2 0 0 0 0 50 54 1 0 0 0 0 50 58 2 0 0 0 0 52 61 1 0 0 0 0 52115 1 0 0 0 0 52116 1 0 0 0 0 53 59 1 0 0 0 0 53 62 2 0 0 0 0 54 60 1 0 0 0 0 54 63 2 0 0 0 0 57117 1 0 0 0 0 58118 1 0 0 0 0 59 64 2 0 0 0 0 60 65 2 0 0 0 0 61 68 2 0 0 0 0 61 69 1 0 0 0 0 62 66 1 0 0 0 0 62121 1 0 0 0 0 63 67 1 0 0 0 0 63122 1 0 0 0 0 64 70 1 0 0 0 0 64131 1 0 0 0 0 65 71 1 0 0 0 0 65132 1 0 0 0 0 66 70 2 0 0 0 0 66133 1 0 0 0 0 67 71 2 0 0 0 0 67134 1 0 0 0 0 68 72 1 0 0 0 0 68135 1 0 0 0 0 69 73 2 0 0 0 0 69136 1 0 0 0 0 70137 1 0 0 0 0 71138 1 0 0 0 0 72 74 2 0 0 0 0 72139 1 0 0 0 0 73 74 1 0 0 0 0 73140 1 0 0 0 0 74141 1 0 0 0 0 M END > 71524446 > 1 > 2030 > 9 > 14 > 17 > AAADcfB/+AAAAAAAAAAAAAAAAABgAWLAAAAwYMAAAAAAAFgB/gAAHgAQAAAADajBngQ9wPLJkACoAzV3dACCgCExAiAI2aG4ZJgIYPLAkbGUIAhglgDIyAcYicCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > 2-[2-[(7S,10S,13S,16S,19S)-13-benzyl-7,19-bis(3-guanidinopropyl)-10,16-bis(1H-indol-3-ylmethyl)-6,9,12,15,18,21-hexaoxo-5,8,11,14,17,20-hexazaspiro[3.17]henicosan-2-yl]ethyl]guanidine > 2-[2-[(7S,10S,13S,16S,19S)-7,19-bis[3-(diaminomethylideneamino)propyl]-10,16-bis(1H-indol-3-ylmethyl)-6,9,12,15,18,21-hexaoxo-13-(phenylmethyl)-5,8,11,14,17,20-hexazaspiro[3.17]heneicosan-2-yl]ethyl]guanidine > 2-[2-[(7S,10S,13S,16S,19S)-13-benzyl-7,19-bis[3-(diaminomethylideneamino)propyl]-10,16-bis(1H-indol-3-ylmethyl)-6,9,12,15,18,21-hexaoxo-5,8,11,14,17,20-hexazaspiro[3.17]henicosan-2-yl]ethyl]guanidine > 2-[2-[(7S,10S,13S,16S,19S)-13-benzyl-7,19-bis[3-(diaminomethylideneamino)propyl]-10,16-bis(1H-indol-3-ylmethyl)-6,9,12,15,18,21-hexaoxo-5,8,11,14,17,20-hexazaspiro[3.17]henicosan-2-yl]ethyl]guanidine > 2-[3-[(7S,10S,13S,16S,19S)-2-[2-[bis(azanyl)methylideneamino]ethyl]-7-[3-[bis(azanyl)methylideneamino]propyl]-10,16-bis(1H-indol-3-ylmethyl)-6,9,12,15,18,21-hexakis(oxidanylidene)-13-(phenylmethyl)-5,8,11,14,17,20-hexazaspiro[3.17]henicosan-19-yl]propyl]guanidine > 2-[2-[(7S,10S,13S,16S,19S)-13-benzyl-7,19-bis(3-guanidinopropyl)-10,16-bis(1H-indol-3-ylmethyl)-6,9,12,15,18,21-hexaketo-5,8,11,14,17,20-hexazaspiro[3.17]heneicosan-2-yl]ethyl]guanidine > InChI=1S/C51H67N17O6/c52-48(53)58-19-8-16-37-42(69)65-41(24-32-28-62-36-15-7-5-13-34(32)36)45(72)64-39(22-29-10-2-1-3-11-29)43(70)66-40(23-31-27-61-35-14-6-4-12-33(31)35)44(71)63-38(17-9-20-59-49(54)55)46(73)68-51(47(74)67-37)25-30(26-51)18-21-60-50(56)57/h1-7,10-15,27-28,30,37-41,61-62H,8-9,16-26H2,(H,63,71)(H,64,72)(H,65,69)(H,66,70)(H,67,74)(H,68,73)(H4,52,53,58)(H4,54,55,59)(H4,56,57,60)/t30?,37-,38-,39-,40-,41-,51?/m0/s1 > RGLHBQDYHQAFKE-JZHGJBETSA-N > 0.1 > 1013.54602292 > C51H67N17O6 > 1014.2 > C1C(CC12C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CCCN=C(N)N)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)CC6=CNC7=CC=CC=C76)CCCN=C(N)N)CCN=C(N)N > C1C(CC12C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CCCN=C(N)N)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)CC6=CNC7=CC=CC=C76)CCCN=C(N)N)CCN=C(N)N > 399 > 1013.54602292 > 0 > 74 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 18 57 8 18 59 8 19 58 8 19 60 8 32 34 5 33 35 5 43 45 5 44 46 5 48 52 5 49 53 8 49 57 8 50 54 8 50 58 8 53 59 8 53 62 8 54 60 8 54 63 8 59 64 8 60 65 8 61 68 8 61 69 8 62 66 8 63 67 8 64 70 8 65 71 8 66 70 8 67 71 8 68 72 8 69 73 8 72 74 8 73 74 8 $$$$