71524409 -OEChem-05042414472D 138144 0 1 0 0 0 0 0999 V2000 8.0622 -0.6778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.1778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.6778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.1778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -5.0920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.8222 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -6.5920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -6.5920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -4.7076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.8222 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.1778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3222 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 5.3222 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.1778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.6778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7553 4.6541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 6.8222 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 5.3222 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6353 -2.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2211 -2.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.1778 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 -1.6778 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5263 -0.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -6.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.3222 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6594 -3.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2688 -3.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9700 -4.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6809 -3.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8222 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6603 3.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3022 -5.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0130 -4.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3237 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 4.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2271 5.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 3.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2486 5.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8949 6.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 5.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9379 6.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5842 7.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6057 7.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5010 -3.8292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0737 -3.3233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0737 -2.4465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7827 -2.4465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7827 -3.3233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -4.4843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -5.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.9878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -1.1527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -1.1527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -1.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -2.2854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 0.2972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 0.2972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.4878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -7.2120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -6.2820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -7.2120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -6.2820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -1.1527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -1.1527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.9422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.5122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8582 -3.5688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 2.2396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 2.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3303 -5.2079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.7972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.7972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.4422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4882 -2.9658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 3.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 4.4048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 3.7146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4948 -6.0455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.6322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4064 -4.1716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 3.7146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 4.4048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9096 -5.7114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 3.7396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 4.4299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 3.3104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -0.4878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.4422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -1.9878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4534 -1.9878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1389 4.5872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5016 5.9274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3312 6.5955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9983 7.4672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4131 7.8013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 7.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8554 7.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 5.6322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 4.7022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 2 0 0 0 0 2 30 2 0 0 0 0 3 36 2 0 0 0 0 4 39 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 30 1 0 0 0 0 7 81 1 0 0 0 0 8 29 1 0 0 0 0 8 32 1 0 0 0 0 8 82 1 0 0 0 0 9 28 1 0 0 0 0 9 35 2 0 0 0 0 10 31 1 0 0 0 0 10 39 1 0 0 0 0 10 89 1 0 0 0 0 11 36 1 0 0 0 0 11 43 1 0 0 0 0 11 92 1 0 0 0 0 12 35 1 0 0 0 0 12 93 1 0 0 0 0 12 94 1 0 0 0 0 13 35 1 0 0 0 0 13 95 1 0 0 0 0 13 96 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14104 1 0 0 0 0 15 41 1 0 0 0 0 15 52 1 0 0 0 0 15107 1 0 0 0 0 16 40 1 0 0 0 0 16 59 2 0 0 0 0 17 48 1 0 0 0 0 17 50 1 0 0 0 0 17113 1 0 0 0 0 18 58 1 0 0 0 0 18 70 2 0 0 0 0 19 59 1 0 0 0 0 19125 1 0 0 0 0 19126 1 0 0 0 0 20 59 1 0 0 0 0 20127 1 0 0 0 0 20128 1 0 0 0 0 21 64 1 0 0 0 0 21 67 1 0 0 0 0 21129 1 0 0 0 0 22 70 1 0 0 0 0 22135 1 0 0 0 0 22136 1 0 0 0 0 23 70 1 0 0 0 0 23137 1 0 0 0 0 23138 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 74 1 0 0 0 0 26 75 1 0 0 0 0 26 76 1 0 0 0 0 27 77 1 0 0 0 0 27 78 1 0 0 0 0 28 79 1 0 0 0 0 28 80 1 0 0 0 0 30 31 1 0 0 0 0 31 33 1 1 0 0 0 31 83 1 0 0 0 0 32 34 1 1 0 0 0 32 36 1 0 0 0 0 32 84 1 0 0 0 0 33 37 1 0 0 0 0 33 85 1 0 0 0 0 33 86 1 0 0 0 0 34 38 1 0 0 0 0 34 87 1 0 0 0 0 34 88 1 0 0 0 0 37 40 1 0 0 0 0 37 90 1 0 0 0 0 37 91 1 0 0 0 0 38 42 1 0 0 0 0 38 44 2 0 0 0 0 39 41 1 0 0 0 0 40 97 1 0 0 0 0 40 98 1 0 0 0 0 41 46 1 1 0 0 0 41 99 1 0 0 0 0 42 45 1 0 0 0 0 42 49 2 0 0 0 0 43 47 1 1 0 0 0 43 48 1 0 0 0 0 43100 1 0 0 0 0 44101 1 0 0 0 0 45 53 2 0 0 0 0 46 51 1 0 0 0 0 46102 1 0 0 0 0 46103 1 0 0 0 0 47 54 1 0 0 0 0 47105 1 0 0 0 0 47106 1 0 0 0 0 49 55 1 0 0 0 0 49108 1 0 0 0 0 50 52 1 0 0 0 0 50 56 1 1 0 0 0 50109 1 0 0 0 0 51 58 1 0 0 0 0 51110 1 0 0 0 0 51111 1 0 0 0 0 53 57 1 0 0 0 0 53112 1 0 0 0 0 54 61 2 0 0 0 0 54 62 1 0 0 0 0 55 57 2 0 0 0 0 55114 1 0 0 0 0 56 60 1 0 0 0 0 56115 1 0 0 0 0 56116 1 0 0 0 0 57117 1 0 0 0 0 58118 1 0 0 0 0 58119 1 0 0 0 0 60 63 1 0 0 0 0 60 64 2 0 0 0 0 61 65 1 0 0 0 0 61120 1 0 0 0 0 62 66 2 0 0 0 0 62121 1 0 0 0 0 63 67 1 0 0 0 0 63 69 2 0 0 0 0 64122 1 0 0 0 0 65 68 2 0 0 0 0 65123 1 0 0 0 0 66 68 1 0 0 0 0 66124 1 0 0 0 0 67 71 2 0 0 0 0 68130 1 0 0 0 0 69 72 1 0 0 0 0 69131 1 0 0 0 0 71 73 1 0 0 0 0 71132 1 0 0 0 0 72 73 2 0 0 0 0 72133 1 0 0 0 0 73134 1 0 0 0 0 M END > 71524409 > 1 > 2010 > 9 > 14 > 16 > AAADcfB/+AAAAAAAAAAAAAAAAABgAWLAAAAwYMAAAAAAAFgB/gAAHgAQAAAADajBngQ9wPLJkACoAzV3dACCgCExAiAI2aG4ZJgIYPLAkbGUIAhglgDIyAcYicCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > 2-[[(7S,10S,13S,16S,19S)-16-benzyl-7,10-bis(3-guanidinopropyl)-13,19-bis(1H-indol-3-ylmethyl)-6,9,12,15,18,21-hexaoxo-5,8,11,14,17,20-hexazaspiro[3.17]henicosan-2-yl]methyl]guanidine > 2-[[(7S,10S,13S,16S,19S)-7,10-bis[3-(diaminomethylideneamino)propyl]-13,19-bis(1H-indol-3-ylmethyl)-6,9,12,15,18,21-hexaoxo-16-(phenylmethyl)-5,8,11,14,17,20-hexazaspiro[3.17]heneicosan-2-yl]methyl]guanidine > 2-[[(7S,10S,13S,16S,19S)-16-benzyl-7,10-bis[3-(diaminomethylideneamino)propyl]-13,19-bis(1H-indol-3-ylmethyl)-6,9,12,15,18,21-hexaoxo-5,8,11,14,17,20-hexazaspiro[3.17]henicosan-2-yl]methyl]guanidine > 2-[[(7S,10S,13S,16S,19S)-16-benzyl-7,10-bis[3-(diaminomethylideneamino)propyl]-13,19-bis(1H-indol-3-ylmethyl)-6,9,12,15,18,21-hexaoxo-5,8,11,14,17,20-hexazaspiro[3.17]henicosan-2-yl]methyl]guanidine > 2-[3-[(7S,10S,13S,16S,19S)-2-[[bis(azanyl)methylideneamino]methyl]-7-[3-[bis(azanyl)methylideneamino]propyl]-13,19-bis(1H-indol-3-ylmethyl)-6,9,12,15,18,21-hexakis(oxidanylidene)-16-(phenylmethyl)-5,8,11,14,17,20-hexazaspiro[3.17]henicosan-10-yl]propyl]guanidine > 2-[[(7S,10S,13S,16S,19S)-16-benzyl-7,10-bis(3-guanidinopropyl)-13,19-bis(1H-indol-3-ylmethyl)-6,9,12,15,18,21-hexaketo-5,8,11,14,17,20-hexazaspiro[3.17]heneicosan-2-yl]methyl]guanidine > InChI=1S/C50H65N17O6/c51-47(52)57-18-8-16-36-41(68)63-37(17-9-19-58-48(53)54)45(72)67-50(23-29(24-50)25-61-49(55)56)46(73)66-40(22-31-27-60-35-15-7-5-13-33(31)35)44(71)64-38(20-28-10-2-1-3-11-28)42(69)65-39(43(70)62-36)21-30-26-59-34-14-6-4-12-32(30)34/h1-7,10-15,26-27,29,36-40,59-60H,8-9,16-25H2,(H,62,70)(H,63,68)(H,64,71)(H,65,69)(H,66,73)(H,67,72)(H4,51,52,57)(H4,53,54,58)(H4,55,56,61)/t29?,36-,37-,38-,39-,40-,50?/m0/s1 > JVRUKMMCNDQESX-AJJINXNLSA-N > -0.2 > 999.53037286 > C50H65N17O6 > 1000.2 > C1C(CC12C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CCCN=C(N)N)CCCN=C(N)N)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)CC6=CNC7=CC=CC=C76)CN=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)CCCN=C(N)N)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)CC6=CNC7=CC=CC=C76)CN=C(N)N > 399 > 999.53037286 > 0 > 73 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 44 8 14 45 8 21 64 8 21 67 8 31 33 5 32 34 5 38 42 8 38 44 8 41 46 5 42 45 8 42 49 8 43 47 5 45 53 8 49 55 8 50 56 5 53 57 8 54 61 8 54 62 8 55 57 8 60 63 8 60 64 8 61 65 8 62 66 8 63 67 8 63 69 8 65 68 8 66 68 8 67 71 8 69 72 8 71 73 8 72 73 8 $$$$