44367272 -OEChem-04262420272D 142147 0 1 0 0 0 0 0999 V2000 9.6225 0.1948 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 10.7015 -1.4567 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.0131 3.6122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2452 -3.6629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5966 3.6753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7764 -3.6348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2319 4.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0693 -4.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2476 2.3457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6531 -0.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0473 -2.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6183 -1.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5913 1.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6402 -4.1567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5692 4.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1215 3.6122 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2247 -3.6252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7640 2.0168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5536 -1.9326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7092 -0.1412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5121 0.1948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9478 -2.5690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2650 2.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8070 -4.9562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4008 4.9521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1979 -3.7684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0123 3.7676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0673 3.9369 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7854 2.1608 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9027 4.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2549 -3.9765 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.4340 -4.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5673 -2.0972 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3323 2.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5399 1.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0251 -2.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5809 -1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0673 3.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6746 5.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9662 5.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2235 -3.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6455 4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6716 -5.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3756 -5.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8468 1.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1355 0.7981 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7172 -4.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0242 -0.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1104 -0.7209 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.4331 -1.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4613 2.9699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8644 -2.1693 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.3492 2.1608 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.8783 -2.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8022 2.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4286 -3.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3065 1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6154 -1.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5947 1.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9476 -1.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8357 -3.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3750 3.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9191 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2907 3.9581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1146 -3.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0965 3.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8903 -5.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3165 5.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0858 -4.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1223 4.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7896 -6.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4151 6.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1247 -5.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0825 5.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 -6.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3658 6.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2051 6.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5347 4.2543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4529 2.6841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8006 5.5348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7925 -4.2854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8503 -4.7516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9129 -2.6119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0506 1.5722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1578 1.1402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0917 -2.3134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7822 -1.3462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0688 5.0804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1532 5.9531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2805 6.0376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1836 5.8545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3855 5.4913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7488 4.6933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1908 4.7868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3504 5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1002 4.1966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2704 -5.1347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1988 -6.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0727 -6.0801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1668 -5.8809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9594 -5.5060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5844 -4.7134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5389 0.6294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1776 -4.8009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0226 -5.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2568 -4.1902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4042 -0.7209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 -0.3818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7046 -0.5440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0522 3.1576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2736 3.5608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8704 2.7822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3083 -1.8952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5261 2.7550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2919 -3.0798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0797 -3.4648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4648 -2.6771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4138 3.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3461 2.5781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8172 -3.1357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8838 -2.6119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1098 0.0174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1131 0.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6532 1.8713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7925 1.7041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9597 0.8434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6085 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4666 -1.6070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2867 -0.7488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 -2.2008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7645 2.1953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 -2.7525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0283 2.7497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2926 -6.7552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9114 6.7521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6302 -4.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5778 4.7922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7709 -7.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4316 7.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4308 -6.4435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7738 6.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 1 35 1 0 0 0 0 1 48 1 0 0 0 0 2 37 1 0 0 0 0 2 48 1 0 0 0 0 3 38 1 0 0 0 0 3 55 1 0 0 0 0 4 41 1 0 0 0 0 4 56 1 0 0 0 0 5 34 2 0 0 0 0 6 36 2 0 0 0 0 7 38 2 0 0 0 0 8 41 2 0 0 0 0 9 45 2 0 0 0 0 11 50 2 0 0 0 0 12 58 2 0 0 0 0 13 59 2 0 0 0 0 14 61 2 0 0 0 0 15 62 2 0 0 0 0 16 28 1 0 0 0 0 16 34 1 0 0 0 0 16 42 1 0 0 0 0 17 31 1 0 0 0 0 17 36 1 0 0 0 0 17 47 1 0 0 0 0 18 29 1 0 0 0 0 18 45 1 0 0 0 0 18 51 1 0 0 0 0 19 33 1 0 0 0 0 19 50 1 0 0 0 0 19 54 1 0 0 0 0 20 46 1 0 0 0 0 20 58 1 0 0 0 0 20123 1 0 0 0 0 21 49 1 0 0 0 0 21 59 1 0 0 0 0 21124 1 0 0 0 0 22 52 1 0 0 0 0 22 61 1 0 0 0 0 22131 1 0 0 0 0 23 53 1 0 0 0 0 23 62 1 0 0 0 0 23132 1 0 0 0 0 24 63 2 0 0 0 0 24 67 1 0 0 0 0 25 64 2 0 0 0 0 25 68 1 0 0 0 0 26 65 2 0 0 0 0 26 69 1 0 0 0 0 27 66 2 0 0 0 0 27 70 1 0 0 0 0 28 30 1 0 0 0 0 28 38 1 0 0 0 0 28 79 1 0 0 0 0 29 34 1 0 0 0 0 29 35 1 0 0 0 0 29 80 1 0 0 0 0 30 39 1 0 0 0 0 30 40 1 0 0 0 0 30 81 1 0 0 0 0 31 32 1 0 0 0 0 31 41 1 0 0 0 0 31 82 1 0 0 0 0 32 43 1 0 0 0 0 32 44 1 0 0 0 0 32 83 1 0 0 0 0 33 36 1 0 0 0 0 33 37 1 0 0 0 0 33 84 1 0 0 0 0 35 85 1 0 0 0 0 35 86 1 0 0 0 0 37 87 1 0 0 0 0 37 88 1 0 0 0 0 39 89 1 0 0 0 0 39 90 1 0 0 0 0 39 91 1 0 0 0 0 40 92 1 0 0 0 0 40 93 1 0 0 0 0 40 94 1 0 0 0 0 42 95 1 0 0 0 0 42 96 1 0 0 0 0 42 97 1 0 0 0 0 43 98 1 0 0 0 0 43 99 1 0 0 0 0 43100 1 0 0 0 0 44101 1 0 0 0 0 44102 1 0 0 0 0 44103 1 0 0 0 0 45 46 1 0 0 0 0 46 57 1 0 0 0 0 46104 1 0 0 0 0 47105 1 0 0 0 0 47106 1 0 0 0 0 47107 1 0 0 0 0 48108 1 0 0 0 0 48109 1 0 0 0 0 49 50 1 0 0 0 0 49 60 1 0 0 0 0 49110 1 0 0 0 0 51111 1 0 0 0 0 51112 1 0 0 0 0 51113 1 0 0 0 0 52 56 1 0 0 0 0 52 58 1 0 0 0 0 52114 1 0 0 0 0 53 55 1 0 0 0 0 53 59 1 0 0 0 0 53115 1 0 0 0 0 54116 1 0 0 0 0 54117 1 0 0 0 0 54118 1 0 0 0 0 55119 1 0 0 0 0 55120 1 0 0 0 0 56121 1 0 0 0 0 56122 1 0 0 0 0 57125 1 0 0 0 0 57126 1 0 0 0 0 57127 1 0 0 0 0 60128 1 0 0 0 0 60129 1 0 0 0 0 60130 1 0 0 0 0 61 63 1 0 0 0 0 62 64 1 0 0 0 0 63 65 1 0 0 0 0 64 66 1 0 0 0 0 65133 1 0 0 0 0 66134 1 0 0 0 0 67 69 1 0 0 0 0 67 71 2 0 0 0 0 68 70 1 0 0 0 0 68 72 2 0 0 0 0 69 73 2 0 0 0 0 70 74 2 0 0 0 0 71 75 1 0 0 0 0 71135 1 0 0 0 0 72 76 1 0 0 0 0 72136 1 0 0 0 0 73 77 1 0 0 0 0 73137 1 0 0 0 0 74 78 1 0 0 0 0 74138 1 0 0 0 0 75 77 2 0 0 0 0 75139 1 0 0 0 0 76 78 2 0 0 0 0 76140 1 0 0 0 0 77141 1 0 0 0 0 78142 1 0 0 0 0 M END > 44367272 > 1 > 2260 > 19 > 4 > 6 > AAADcfB//ABgAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx/gAAHgQQAAAADSjl1ga+yLPIFAqoATX3XEDCgSQ3EjAI2KG4dNgKYP7g0bGXIIhmtgDYyMcQAAAIAAAAAAAAACAAAAAAAAAAQAAAAAAAAA== > N-[11,24-diisopropyl-2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26,28-nonaoxo-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28lambda4,30-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.5]hentriacontan-7-yl]quinoxaline-2-carboxamide > N-[2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26,28-nonaoxo-20-[[oxo(2-quinoxalinyl)methyl]amino]-11,24-di(propan-2-yl)-9,22-dioxa-28lambda4,30-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.5]hentriacontan-7-yl]-2-quinoxalinecarboxamide > N-[2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26,28-nonaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28λ4,30-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.5]hentriacontan-7-yl]quinoxaline-2-carboxamide > N-[2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26,28-nonaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28lambda4,30-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.5]hentriacontan-7-yl]quinoxaline-2-carboxamide > N-[2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26,28-nonakis(oxidanylidene)-11,24-di(propan-2-yl)-20-(quinoxalin-2-ylcarbonylamino)-9,22-dioxa-28lambda4,30-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.5]hentriacontan-7-yl]quinoxaline-2-carboxamide > N-[11,24-diisopropyl-3,6,10,13,16,19,23,26,28-nonaketo-2,4,12,15,17,25-hexamethyl-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28lambda4,30-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.5]hentriacontan-7-yl]quinoxaline-2-carboxamide > InChI=1S/C51H64N12O13S2/c1-26(2)40-50(72)75-21-37(59-43(65)35-20-53-31-16-12-14-18-33(31)57-35)45(67)55-29(6)47(69)61(8)39-24-78(74)25-77-23-38(48(70)62(40)9)60(7)46(68)28(5)54-44(66)36(22-76-51(73)41(27(3)4)63(10)49(39)71)58-42(64)34-19-52-30-15-11-13-17-32(30)56-34/h11-20,26-29,36-41H,21-25H2,1-10H3,(H,54,66)(H,55,67)(H,58,64)(H,59,65) > MLDKYZFZSMZBFV-UHFFFAOYSA-N > 1.1 > 1116.41572249 > C51H64N12O13S2 > 1117.3 > CC1C(=O)N(C2CSCS(=O)CC(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)C)N(C(=O)C(NC(=O)C(COC(=O)C(N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)C > CC1C(=O)N(C2CSCS(=O)CC(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)C)N(C(=O)C(NC(=O)C(COC(=O)C(N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)C > 363 > 1116.41572249 > 0 > 78 > 0 > 9 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 35 3 52 22 3 53 23 3 24 63 8 24 67 8 25 64 8 25 68 8 26 65 8 26 69 8 27 66 8 27 70 8 28 30 3 29 35 3 31 32 3 33 37 3 46 57 3 49 60 3 63 65 8 64 66 8 67 69 8 67 71 8 68 70 8 68 72 8 69 73 8 70 74 8 71 75 8 72 76 8 73 77 8 74 78 8 75 77 8 76 78 8 $$$$