71524410 -OEChem-03282419242D 140148 0 1 0 0 0 0 0999 V2000 9.1949 -0.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 0.3779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3289 0.3779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 1.3779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3289 1.3779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1949 1.8779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9270 -1.1221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3289 -1.6221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7930 1.3779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 0.3779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9270 -4.5363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3721 -3.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7498 -0.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 3.3779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 2.8779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7930 -6.0363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 -6.0363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5061 -4.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 -3.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4818 -0.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6158 -1.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7899 0.1800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2930 5.9077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 -1.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 -3.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7681 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3538 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 -1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7930 0.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2381 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0177 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2041 -2.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4970 -0.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7589 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0518 -0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1949 -1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9270 -0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 -4.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 -0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3721 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8838 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9270 1.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 1.3779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9270 2.8779 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9270 -5.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7308 1.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7930 3.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 1.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5061 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6158 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3289 3.3779 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1949 2.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8648 1.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7930 4.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3289 4.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 1.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5977 4.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7617 0.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9883 4.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2871 5.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 4.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 2.7335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5762 4.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 1.2449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9549 6.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 2.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2441 5.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 4.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 5.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9334 6.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7308 4.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 6.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7308 5.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4881 -3.2736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2065 -2.7676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2065 -1.8908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9154 -1.8908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9154 -2.7676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7462 -1.4518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9368 -0.9439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0436 -2.6869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8029 -2.2485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6574 -0.2644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8981 -0.7028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3578 0.7972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5985 1.2356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4529 -0.7485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2123 -1.1869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4639 -1.4321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3289 -2.2421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4504 -3.9287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8489 -4.6189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3299 1.6879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1600 -1.7466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7615 -2.4369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4852 -1.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2823 -1.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0599 0.0679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0599 1.0679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9270 3.4979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1293 2.3528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3323 2.3528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0051 2.7953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4036 3.4856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 3.9979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7920 3.6879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9259 3.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7930 -6.6563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3299 -5.7263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 -6.6563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5240 -5.7263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9691 -5.1392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -5.1392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1031 -3.6392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 -2.7092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0188 -0.6392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4818 0.2908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1528 -2.1392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0789 -2.1392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9395 4.2702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5410 4.9605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2232 -0.0249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3989 4.7689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5397 -0.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9268 6.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 3.1950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7689 4.1660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 0.7835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7623 7.2456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 3.5291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8508 5.3717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 3.7579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9998 6.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 2.3233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3475 6.9116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1939 4.5679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 6.9979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1939 6.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 2 0 0 0 0 2 37 2 0 0 0 0 3 39 2 0 0 0 0 4 42 2 0 0 0 0 5 48 2 0 0 0 0 6 52 2 0 0 0 0 7 24 1 0 0 0 0 7 37 1 0 0 0 0 7 91 1 0 0 0 0 8 28 1 0 0 0 0 8 36 1 0 0 0 0 8 92 1 0 0 0 0 9 29 1 0 0 0 0 9 42 1 0 0 0 0 9 95 1 0 0 0 0 10 39 1 0 0 0 0 10 43 1 0 0 0 0 10100 1 0 0 0 0 11 38 1 0 0 0 0 11 45 2 0 0 0 0 12 40 1 0 0 0 0 12 49 2 0 0 0 0 13 41 1 0 0 0 0 13 50 2 0 0 0 0 14 44 1 0 0 0 0 14 52 1 0 0 0 0 14107 1 0 0 0 0 15 48 1 0 0 0 0 15 51 1 0 0 0 0 15109 1 0 0 0 0 16 45 1 0 0 0 0 16110 1 0 0 0 0 16111 1 0 0 0 0 17 45 1 0 0 0 0 17112 1 0 0 0 0 17113 1 0 0 0 0 18 49 1 0 0 0 0 18114 1 0 0 0 0 18115 1 0 0 0 0 19 49 1 0 0 0 0 19116 1 0 0 0 0 19117 1 0 0 0 0 20 50 1 0 0 0 0 20118 1 0 0 0 0 20119 1 0 0 0 0 21 50 1 0 0 0 0 21120 1 0 0 0 0 21121 1 0 0 0 0 22 58 1 0 0 0 0 22 60 1 0 0 0 0 22126 1 0 0 0 0 23 59 1 0 0 0 0 23 61 1 0 0 0 0 23127 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 24 36 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 38 1 0 0 0 0 25 76 1 0 0 0 0 26 77 1 0 0 0 0 26 78 1 0 0 0 0 27 79 1 0 0 0 0 27 80 1 0 0 0 0 28 32 1 0 0 0 0 28 33 1 0 0 0 0 28 39 1 0 0 0 0 29 34 1 0 0 0 0 29 35 1 0 0 0 0 29 37 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 30 40 1 0 0 0 0 30 81 1 0 0 0 0 31 34 1 0 0 0 0 31 35 1 0 0 0 0 31 41 1 0 0 0 0 31 82 1 0 0 0 0 32 83 1 0 0 0 0 32 84 1 0 0 0 0 33 85 1 0 0 0 0 33 86 1 0 0 0 0 34 87 1 0 0 0 0 34 88 1 0 0 0 0 35 89 1 0 0 0 0 35 90 1 0 0 0 0 38 93 1 0 0 0 0 38 94 1 0 0 0 0 40 96 1 0 0 0 0 40 97 1 0 0 0 0 41 98 1 0 0 0 0 41 99 1 0 0 0 0 42 44 1 0 0 0 0 43 46 1 1 0 0 0 43 48 1 0 0 0 0 43101 1 0 0 0 0 44 47 1 1 0 0 0 44102 1 0 0 0 0 46 53 1 0 0 0 0 46103 1 0 0 0 0 46104 1 0 0 0 0 47 54 1 0 0 0 0 47105 1 0 0 0 0 47106 1 0 0 0 0 51 52 1 0 0 0 0 51 55 1 1 0 0 0 51108 1 0 0 0 0 53 56 1 0 0 0 0 53 58 2 0 0 0 0 54 57 1 0 0 0 0 54 59 2 0 0 0 0 55 62 1 0 0 0 0 55122 1 0 0 0 0 55123 1 0 0 0 0 56 60 1 0 0 0 0 56 63 2 0 0 0 0 57 61 1 0 0 0 0 57 64 2 0 0 0 0 58124 1 0 0 0 0 59125 1 0 0 0 0 60 65 2 0 0 0 0 61 66 2 0 0 0 0 62 69 2 0 0 0 0 62 70 1 0 0 0 0 63 67 1 0 0 0 0 63128 1 0 0 0 0 64 68 1 0 0 0 0 64129 1 0 0 0 0 65 71 1 0 0 0 0 65130 1 0 0 0 0 66 72 1 0 0 0 0 66131 1 0 0 0 0 67 71 2 0 0 0 0 67132 1 0 0 0 0 68 72 2 0 0 0 0 68133 1 0 0 0 0 69 73 1 0 0 0 0 69134 1 0 0 0 0 70 74 2 0 0 0 0 70135 1 0 0 0 0 71136 1 0 0 0 0 72137 1 0 0 0 0 73 75 2 0 0 0 0 73138 1 0 0 0 0 74 75 1 0 0 0 0 74139 1 0 0 0 0 75140 1 0 0 0 0 M END > 71524410 > 1 > 2210 > 9 > 14 > 12 > AAADcfB/+AAAAAAAAAAAAAAAAABgwWLAAAAwYMAAAAAAAFgB/gAAHgAQAAAADajBngQ9wPLJkACoAzV3dACCgCExAiAI2aG4ZJgIYPLAkbGUIAhglgDIyAcYicCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > 2-[[(19S,22S,25S)-22-benzyl-2,9-bis(guanidinomethyl)-19,25-bis(1H-indol-3-ylmethyl)-6,12,18,21,24,27-hexaoxo-5,11,17,20,23,26-hexazatrispiro[3.2.37.2.313.114]heptacosan-15-yl]methyl]guanidine > 2-[[(19S,22S,25S)-2,9-bis[(diaminomethylideneamino)methyl]-19,25-bis(1H-indol-3-ylmethyl)-6,12,18,21,24,27-hexaoxo-22-(phenylmethyl)-5,11,17,20,23,26-hexazatrispiro[3.2.37.2.313.114]heptacosan-15-yl]methyl]guanidine > 2-[[(19S,22S,25S)-22-benzyl-2,9-bis[(diaminomethylideneamino)methyl]-19,25-bis(1H-indol-3-ylmethyl)-6,12,18,21,24,27-hexaoxo-5,11,17,20,23,26-hexazatrispiro[3.2.37.2.313.114]heptacosan-15-yl]methyl]guanidine > 2-[[(19S,22S,25S)-22-benzyl-2,9-bis[(diaminomethylideneamino)methyl]-19,25-bis(1H-indol-3-ylmethyl)-6,12,18,21,24,27-hexaoxo-5,11,17,20,23,26-hexazatrispiro[3.2.37.2.313.114]heptacosan-15-yl]methyl]guanidine > 2-[[(19S,22S,25S)-2,9-bis[[bis(azanyl)methylideneamino]methyl]-19,25-bis(1H-indol-3-ylmethyl)-6,12,18,21,24,27-hexakis(oxidanylidene)-22-(phenylmethyl)-5,11,17,20,23,26-hexazatrispiro[3.2.37.2.313.114]heptacosan-15-yl]methyl]guanidine > 2-[[(19S,22S,25S)-22-benzyl-2,9-bis(guanidinomethyl)-19,25-bis(1H-indol-3-ylmethyl)-6,12,18,21,24,27-hexaketo-5,11,17,20,23,26-hexazatrispiro[3.2.37.2.313.114]heptacosan-15-yl]methyl]guanidine > InChI=1S/C52H65N17O6/c53-47(54)61-23-29-17-50(18-29)44(73)66-39(15-32-26-59-36-12-6-4-10-34(32)36)42(71)64-38(14-28-8-2-1-3-9-28)41(70)65-40(16-33-27-60-37-13-7-5-11-35(33)37)43(72)67-51(19-30(20-51)24-62-48(55)56)45(74)69-52(46(75)68-50)21-31(22-52)25-63-49(57)58/h1-13,26-27,29-31,38-40,59-60H,14-25H2,(H,64,71)(H,65,70)(H,66,73)(H,67,72)(H,68,75)(H,69,74)(H4,53,54,61)(H4,55,56,62)(H4,57,58,63)/t29?,30?,31?,38-,39-,40-,50?,51?,52?/m0/s1 > CSTMHGDOINWSBH-QTHMHWFESA-N > -0.5 > 1023.53037286 > C52H65N17O6 > 1024.2 > C1C(CC12C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC3(CC(C3)CN=C(N)N)C(=O)NC4(CC(C4)CN=C(N)N)C(=O)N2)CC5=CNC6=CC=CC=C65)CC7=CC=CC=C7)CC8=CNC9=CC=CC=C98)CN=C(N)N > C1C(CC12C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC3(CC(C3)CN=C(N)N)C(=O)NC4(CC(C4)CN=C(N)N)C(=O)N2)CC5=CNC6=CC=CC=C65)CC7=CC=CC=C7)CC8=CNC9=CC=CC=C98)CN=C(N)N > 399 > 1023.53037286 > 0 > 75 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 22 58 8 22 60 8 23 59 8 23 61 8 43 46 5 44 47 5 51 55 5 53 56 8 53 58 8 54 57 8 54 59 8 56 60 8 56 63 8 57 61 8 57 64 8 60 65 8 61 66 8 62 69 8 62 70 8 63 67 8 64 68 8 65 71 8 66 72 8 67 71 8 68 72 8 69 73 8 70 74 8 73 75 8 74 75 8 $$$$