70687274 -OEChem-04242420052D 157162 0 1 0 0 0 0 0999 V2000 10.3997 7.3100 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.5336 7.8100 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2035 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6676 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 7.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1317 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9356 10.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9978 4.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8016 10.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2035 13.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6676 13.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8016 11.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3997 19.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5336 17.9289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8016 4.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0695 5.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3997 4.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0695 7.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3966 7.5079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1317 6.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8016 8.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2035 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8638 7.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5336 10.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6707 7.5079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9356 4.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5336 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9356 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5336 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2035 6.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0695 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0695 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6676 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4715 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0695 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2035 7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6676 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5336 6.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0695 8.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2657 5.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5637 5.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2657 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2035 9.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2035 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3684 7.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8958 6.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9356 9.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3997 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6676 9.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2530 4.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8638 6.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2035 10.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7298 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9978 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9173 6.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5336 8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5958 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2745 4.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6067 5.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6676 10.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5036 5.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 10.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0695 10.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1715 6.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6989 7.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5336 11.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3997 12.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8143 4.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 11.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0695 11.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1500 6.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2035 12.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7928 4.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3997 13.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4606 5.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6676 12.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2657 13.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5336 13.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2657 14.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5336 14.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3997 15.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6676 19.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5336 18.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4725 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0706 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1476 2.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5462 3.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1537 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2035 5.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8575 3.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4590 2.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8016 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9390 5.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7360 5.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6065 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3997 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2816 1.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6801 1.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9776 6.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1307 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3576 5.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1537 6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5336 7.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9136 6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5326 8.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8026 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6065 7.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5929 9.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9915 8.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9915 1.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5929 1.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8299 7.7128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1464 8.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7891 6.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1876 5.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1317 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1307 9.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6671 4.4929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3268 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8016 8.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3313 5.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1283 5.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5033 6.9044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1442 8.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7457 9.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0819 4.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6666 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7405 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.3646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8006 10.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6065 10.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2374 7.7128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0706 11.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4007 7.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3268 7.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0706 10.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9209 8.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6117 11.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0103 12.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4002 4.4929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8006 12.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6065 12.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5640 6.9044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9854 4.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0673 5.3646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8026 13.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9967 13.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6666 13.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8026 15.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9967 15.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1307 13.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3997 15.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9776 19.9659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1307 19.7389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3576 18.8920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9366 19.1189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 49 1 0 0 0 0 2 57 1 0 0 0 0 3 33 2 0 0 0 0 4 34 2 0 0 0 0 5 37 2 0 0 0 0 6 43 2 0 0 0 0 7 48 2 0 0 0 0 8 55 2 0 0 0 0 9 61 2 0 0 0 0 10 73 1 0 0 0 0 10149 1 0 0 0 0 11 77 1 0 0 0 0 11152 1 0 0 0 0 12 77 2 0 0 0 0 13 84 1 0 0 0 0 13157 1 0 0 0 0 14 84 2 0 0 0 0 15 26 1 0 0 0 0 15 34 1 0 0 0 0 15 93 1 0 0 0 0 16 30 1 0 0 0 0 16 33 1 0 0 0 0 16 96 1 0 0 0 0 17 27 1 0 0 0 0 17 43 1 0 0 0 0 17 97 1 0 0 0 0 18 37 1 0 0 0 0 18 40 1 0 0 0 0 18108 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19114 1 0 0 0 0 41 20 1 6 0 0 0 20 55 1 0 0 0 0 20117 1 0 0 0 0 21 48 1 0 0 0 0 21 50 1 0 0 0 0 21121 1 0 0 0 0 22 45 1 0 0 0 0 22128 1 0 0 0 0 22129 1 0 0 0 0 52 23 1 1 0 0 0 23135 1 0 0 0 0 23136 1 0 0 0 0 24 61 1 0 0 0 0 67 24 1 1 0 0 0 24137 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 25138 1 0 0 0 0 26 28 1 1 0 0 0 26 33 1 0 0 0 0 26 85 1 0 0 0 0 27 29 1 6 0 0 0 27 34 1 0 0 0 0 27 86 1 0 0 0 0 28 31 1 0 0 0 0 28 87 1 0 0 0 0 28 88 1 0 0 0 0 29 38 1 0 0 0 0 29 39 1 0 0 0 0 29 89 1 0 0 0 0 30 32 1 6 0 0 0 30 37 1 0 0 0 0 30 90 1 0 0 0 0 31 36 1 0 0 0 0 31 91 1 0 0 0 0 31 92 1 0 0 0 0 32 35 1 0 0 0 0 32 94 1 0 0 0 0 32 95 1 0 0 0 0 35 42 1 0 0 0 0 35 46 2 0 0 0 0 36 45 1 0 0 0 0 36 98 1 0 0 0 0 36 99 1 0 0 0 0 38100 1 0 0 0 0 38101 1 0 0 0 0 38102 1 0 0 0 0 39103 1 0 0 0 0 39104 1 0 0 0 0 39105 1 0 0 0 0 40 44 1 1 0 0 0 40 48 1 0 0 0 0 40106 1 0 0 0 0 41 43 1 0 0 0 0 41 49 1 0 0 0 0 41107 1 0 0 0 0 42 47 1 0 0 0 0 42 51 2 0 0 0 0 44 53 1 0 0 0 0 44109 1 0 0 0 0 44110 1 0 0 0 0 45111 1 0 0 0 0 45112 1 0 0 0 0 46113 1 0 0 0 0 47 56 2 0 0 0 0 49115 1 0 0 0 0 49116 1 0 0 0 0 50 57 1 0 0 0 0 50 61 1 6 0 0 0 50118 1 0 0 0 0 51 59 1 0 0 0 0 51119 1 0 0 0 0 52 54 1 0 0 0 0 52 55 1 0 0 0 0 52120 1 0 0 0 0 53 63 2 0 0 0 0 53 64 1 0 0 0 0 54 58 1 0 0 0 0 54122 1 0 0 0 0 54123 1 0 0 0 0 56 60 1 0 0 0 0 56124 1 0 0 0 0 57125 1 0 0 0 0 57126 1 0 0 0 0 58 62 1 0 0 0 0 58 66 2 0 0 0 0 59 60 2 0 0 0 0 59127 1 0 0 0 0 60130 1 0 0 0 0 62 65 1 0 0 0 0 62 69 2 0 0 0 0 63 70 1 0 0 0 0 63131 1 0 0 0 0 64 71 2 0 0 0 0 64132 1 0 0 0 0 65 72 2 0 0 0 0 66133 1 0 0 0 0 67 68 1 0 0 0 0 67 77 1 0 0 0 0 67134 1 0 0 0 0 68 75 1 0 0 0 0 68139 1 0 0 0 0 68140 1 0 0 0 0 69 74 1 0 0 0 0 69141 1 0 0 0 0 70 73 2 0 0 0 0 70142 1 0 0 0 0 71 73 1 0 0 0 0 71143 1 0 0 0 0 72 76 1 0 0 0 0 72144 1 0 0 0 0 74 76 2 0 0 0 0 74145 1 0 0 0 0 75 78 2 0 0 0 0 75 79 1 0 0 0 0 76146 1 0 0 0 0 78 80 1 0 0 0 0 78147 1 0 0 0 0 79 81 2 0 0 0 0 79148 1 0 0 0 0 80 82 2 0 0 0 0 80150 1 0 0 0 0 81 82 1 0 0 0 0 81151 1 0 0 0 0 82153 1 0 0 0 0 83 84 1 0 0 0 0 83154 1 0 0 0 0 83155 1 0 0 0 0 83156 1 0 0 0 0 M END > 70687274 > 1 > 2110 > 16 > 14 > 18 > AAADcfB//ABgAAAAAAAAAAAAAAAAAWLAAAAwYMGAAAAAAFgB/gAAHgQQCAAADSzF3gS+zvLJkgCoAzX3XACCgCAxIiAI2aG+bJgKZvLCkbOUcAhk1hHY2AeYyeCOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > acetic acid;(2R)-2-[[(4R,7S,10R,13S,16S,19R)-13-(4-aminobutyl)-19-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-7-[(4-hydroxyphenyl)methyl]-10-(1H-indol-3-ylmethyl)-16-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-phenyl-propanoic acid > acetic acid;(2R)-2-[[[(4R,7S,10R,13S,16S,19R)-13-(4-aminobutyl)-19-[[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-7-[(4-hydroxyphenyl)methyl]-10-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-16-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloeicos-4-yl]-oxomethyl]amino]-3-phenylpropanoic acid > acetic acid;(2R)-2-[[(4R,7S,10R,13S,16S,19R)-13-(4-aminobutyl)-19-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-7-[(4-hydroxyphenyl)methyl]-10-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-16-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-phenylpropanoic acid > acetic acid;(2R)-2-[[(4R,7S,10R,13S,16S,19R)-13-(4-aminobutyl)-19-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-7-[(4-hydroxyphenyl)methyl]-10-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-16-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-phenylpropanoic acid > (2R)-2-[[(4R,7S,10R,13S,16S,19R)-13-(4-azanylbutyl)-19-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-7-[(4-hydroxyphenyl)methyl]-10-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentakis(oxidanylidene)-16-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicos-4-yl]carbonylamino]-3-phenyl-propanoic acid;ethanoic acid > acetic acid;(2R)-2-[[(4R,7S,10R,13S,16S,19R)-13-(4-aminobutyl)-19-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-7-(4-hydroxybenzyl)-10-(1H-indol-3-ylmethyl)-16-isopropyl-6,9,12,15,18-pentaketo-1,2-dithia-5,8,11,14,17-pentazacycloeicosane-4-carbonyl]amino]-3-phenyl-propionic acid > InChI=1S/C57H69N11O10S2.C2H4O2/c1-32(2)49-56(76)62-43(18-10-11-23-58)51(71)64-45(27-36-29-61-42-17-9-7-15-39(36)42)53(73)63-44(24-34-19-21-37(69)22-20-34)52(72)67-47(54(74)65-46(57(77)78)25-33-12-4-3-5-13-33)30-79-80-31-48(55(75)68-49)66-50(70)40(59)26-35-28-60-41-16-8-6-14-38(35)41;1-2(3)4/h3-9,12-17,19-22,28-29,32,40,43-49,60-61,69H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H,62,76)(H,63,73)(H,64,71)(H,65,74)(H,66,70)(H,67,72)(H,68,75)(H,77,78);1H3,(H,3,4)/t40-,43-,44-,45+,46+,47-,48-,49-;/m0./s1 > KPOAFXXBILLWJW-PGQKQTJTSA-N > 1191.48815915 > C59H73N11O12S2 > 1192.4 > CC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)N1)NC(=O)C(CC2=CNC3=CC=CC=C32)N)C(=O)NC(CC4=CC=CC=C4)C(=O)O)CC5=CC=C(C=C5)O)CC6=CNC7=CC=CC=C76)CCCCN.CC(=O)O > CC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)N)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)O)CC5=CC=C(C=C5)O)CC6=CNC7=CC=CC=C76)CCCCN.CC(=O)O > 433 > 1191.48815915 > 0 > 84 > 8 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 19 46 8 19 47 8 41 20 6 52 23 5 67 24 5 25 65 8 25 66 8 26 28 5 27 29 6 30 32 6 35 42 8 35 46 8 40 44 5 42 47 8 42 51 8 47 56 8 50 61 6 51 59 8 53 63 8 53 64 8 56 60 8 58 62 8 58 66 8 59 60 8 62 65 8 62 69 8 63 70 8 64 71 8 65 72 8 69 74 8 70 73 8 71 73 8 72 76 8 74 76 8 75 78 8 75 79 8 78 80 8 79 81 8 80 82 8 81 82 8 $$$$