71551532 -OEChem-04242420382D 101107 0 1 0 0 0 0 0999 V2000 6.6131 -2.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9914 1.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9706 3.8036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5945 -2.1174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4335 1.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6263 5.1022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3726 -0.9934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3775 1.8337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0598 -1.8716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0677 2.7027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.8453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2975 -4.0553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7255 0.4127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6233 3.3702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1278 5.9709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.0791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -0.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0651 -1.9744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9588 -2.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1218 2.5016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1146 -1.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9692 0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7668 -3.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9329 2.2012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7643 -4.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6233 3.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0734 2.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7153 -4.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7125 -3.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6033 2.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9267 -1.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5193 1.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5159 -0.5651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0211 -5.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2959 3.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9232 -5.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2290 -6.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1801 -6.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1248 4.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3181 4.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9663 4.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1248 4.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0108 5.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6590 5.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6812 5.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6263 5.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6233 3.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6263 5.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6233 3.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1248 4.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6850 -0.6310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 0.3343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -0.1980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5028 -2.4136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3632 -2.7968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6861 -3.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8704 -1.3569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5096 2.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8765 2.1990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8370 2.8137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2504 -2.4616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2063 3.5795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 3.9792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9041 -2.6619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2603 3.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -3.4346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9842 2.4540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1512 3.2333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9175 -4.0542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8435 -1.0915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9499 -0.3120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4315 -5.0296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3455 0.4116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3124 2.8338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5129 -6.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7683 -6.6142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3090 -7.1148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9025 3.6443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5726 4.5068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4045 5.1859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0746 6.0484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4906 6.3879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9324 2.8362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3172 5.6449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3124 2.8390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5048 4.2434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8187 6.5083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7478 5.9698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 2 0 0 0 0 2 23 2 0 0 0 0 3 31 2 0 0 0 0 4 35 2 0 0 0 0 5 37 2 0 0 0 0 6 47 2 0 0 0 0 7 16 1 0 0 0 0 7 22 1 0 0 0 0 7 65 1 0 0 0 0 8 21 1 0 0 0 0 8 23 1 0 0 0 0 8 67 1 0 0 0 0 9 18 1 0 0 0 0 9 35 1 0 0 0 0 9 69 1 0 0 0 0 10 26 1 0 0 0 0 10 31 1 0 0 0 0 10 74 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 75 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 78 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 84 1 0 0 0 0 14 30 1 0 0 0 0 14 47 1 0 0 0 0 14 85 1 0 0 0 0 15 54 1 0 0 0 0 15100 1 0 0 0 0 15101 1 0 0 0 0 16 17 1 1 0 0 0 16 23 1 0 0 0 0 16 59 1 0 0 0 0 17 20 1 0 0 0 0 17 60 1 0 0 0 0 17 61 1 0 0 0 0 18 19 1 1 0 0 0 18 22 1 0 0 0 0 18 62 1 0 0 0 0 19 24 1 0 0 0 0 19 63 1 0 0 0 0 19 64 1 0 0 0 0 20 25 1 0 0 0 0 20 29 2 0 0 0 0 21 30 1 1 0 0 0 21 31 1 0 0 0 0 21 66 1 0 0 0 0 24 27 1 0 0 0 0 24 33 2 0 0 0 0 25 28 1 0 0 0 0 25 36 2 0 0 0 0 26 34 1 1 0 0 0 26 37 1 0 0 0 0 26 68 1 0 0 0 0 27 32 1 0 0 0 0 27 39 2 0 0 0 0 28 40 2 0 0 0 0 29 70 1 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 32 42 2 0 0 0 0 33 73 1 0 0 0 0 34 41 1 0 0 0 0 34 76 1 0 0 0 0 34 77 1 0 0 0 0 35 38 1 0 0 0 0 36 43 1 0 0 0 0 36 79 1 0 0 0 0 38 80 1 0 0 0 0 38 81 1 0 0 0 0 39 45 1 0 0 0 0 39 82 1 0 0 0 0 40 44 1 0 0 0 0 40 83 1 0 0 0 0 41 48 2 0 0 0 0 41 49 1 0 0 0 0 42 46 1 0 0 0 0 42 86 1 0 0 0 0 43 44 2 0 0 0 0 43 87 1 0 0 0 0 44 88 1 0 0 0 0 45 46 2 0 0 0 0 45 89 1 0 0 0 0 46 90 1 0 0 0 0 47 50 1 0 0 0 0 48 51 1 0 0 0 0 48 91 1 0 0 0 0 49 52 2 0 0 0 0 49 92 1 0 0 0 0 50 54 1 0 0 0 0 50 55 2 0 0 0 0 51 53 2 0 0 0 0 51 93 1 0 0 0 0 52 53 1 0 0 0 0 52 94 1 0 0 0 0 53 95 1 0 0 0 0 54 56 2 0 0 0 0 55 57 1 0 0 0 0 55 96 1 0 0 0 0 56 58 1 0 0 0 0 56 97 1 0 0 0 0 57 58 2 0 0 0 0 57 98 1 0 0 0 0 58 99 1 0 0 0 0 M END > 71551532 > 1 > 1480 > 7 > 9 > 9 > AAADcfB/+AAAAAAAAAAAAAAAAAAAAWLAAAAwYMGAAAAAAFgB/gAAHgAQAAAADCjBngQ8wPLJkACoAzV3VACCgCA1AiAI2aG4ZNgIYPrA1bGUIYhglgDIyccYicCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > 2-amino-N-[[(2S,5S,11S,14S)-5-benzyl-11,14-bis(1H-indol-3-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]methyl]benzamide > 2-amino-N-[[(2S,5S,11S,14S)-11,14-bis(1H-indol-3-ylmethyl)-3,6,9,12,15-pentaoxo-5-(phenylmethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]methyl]benzamide > 2-amino-N-[[(2S,5S,11S,14S)-5-benzyl-11,14-bis(1H-indol-3-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]methyl]benzamide > 2-amino-N-[[(2S,5S,11S,14S)-5-benzyl-11,14-bis(1H-indol-3-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]methyl]benzamide > 2-azanyl-N-[[(2S,5S,11S,14S)-11,14-bis(1H-indol-3-ylmethyl)-3,6,9,12,15-pentakis(oxidanylidene)-5-(phenylmethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]methyl]benzamide > 2-amino-N-[[(2S,5S,11S,14S)-5-benzyl-11,14-bis(1H-indol-3-ylmethyl)-3,6,9,12,15-pentaketo-1,4,7,10,13-pentazacyclopentadec-2-yl]methyl]benzamide > InChI=1S/C43H43N9O6/c44-31-15-7-4-14-30(31)39(54)47-23-37-43(58)50-34(18-25-10-2-1-3-11-25)40(55)48-24-38(53)49-35(19-26-21-45-32-16-8-5-12-28(26)32)41(56)51-36(42(57)52-37)20-27-22-46-33-17-9-6-13-29(27)33/h1-17,21-22,34-37,45-46H,18-20,23-24,44H2,(H,47,54)(H,48,55)(H,49,53)(H,50,58)(H,51,56)(H,52,57)/t34-,35-,36-,37-/m0/s1 > LBMGRGYCWIMMTB-BQYLNSIHSA-N > 4.4 > 781.33363013 > C43H43N9O6 > 781.9 > C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)CNC(=O)C3=CC=CC=C3N)CC4=CNC5=CC=CC=C54)CC6=CNC7=CC=CC=C76 > C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CNC(=O)C3=CC=CC=C3N)CC4=CNC5=CC=CC=C54)CC6=CNC7=CC=CC=C76 > 232 > 781.33363013 > 0 > 58 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 28 8 11 29 8 12 32 8 12 33 8 16 17 5 18 19 5 20 25 8 20 29 8 21 30 5 24 27 8 24 33 8 25 28 8 25 36 8 26 34 5 27 32 8 27 39 8 28 40 8 32 42 8 36 43 8 39 45 8 40 44 8 41 48 8 41 49 8 42 46 8 43 44 8 45 46 8 48 51 8 49 52 8 50 54 8 50 55 8 51 53 8 52 53 8 54 56 8 55 57 8 56 58 8 57 58 8 $$$$