44367271 -OEChem-04242402042D 129134 0 1 0 0 0 0 0999 V2000 10.7015 -1.4567 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6225 0.1948 0.0000 S 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 14.0131 3.6122 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 9.5966 3.6753 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 13.2319 4.9232 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 7.2476 2.3457 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 5.6183 -1.2446 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 6.6402 -4.1567 0.0000 O 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 11.1215 3.6122 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 8.7640 2.0168 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 6.7092 -0.1412 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 5.9478 -2.5690 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 4.8070 -4.9562 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 3.1979 -3.7684 0.0000 N 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 12.0673 3.9369 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 11.9027 4.9232 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 9.7854 2.1608 0.0000 C 0 0 3 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 9.6716 -5.6074 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 12.6746 5.5590 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 10.3323 2.9980 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 13.0673 3.9369 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 9.5399 1.1914 0.0000 C 0 0 0 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 6.8644 -2.1693 0.0000 C 0 0 3 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 7.1355 0.7981 0.0000 C 0 0 3 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 14.8022 2.9980 0.0000 C 0 0 0 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 7.8468 1.5451 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 6.6154 -1.1683 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 15.9476 -1.2679 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 16.3750 3.5564 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 17.2907 3.9581 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 18.0965 3.3659 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 18.3165 5.3538 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 19.1223 4.7615 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 18.4151 6.3907 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 20.0825 5.1652 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 19.3658 6.8165 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 20.2051 6.1996 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 10.7925 -4.2854 0.0000 H 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 9.8503 -4.7516 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 12.9129 -2.6119 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 11.5301 -4.1648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8264 4.1575 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 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 11.1836 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 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 11.0917 -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 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 13.7550 -2.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5764 2.6077 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 6.3083 -1.8952 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 6.5389 0.6294 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 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 16.1131 0.0426 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 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 15.6085 -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 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 16.7645 2.1953 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 18.0283 2.7497 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 17.9114 6.7521 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 20.5778 4.7922 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 19.4316 7.4330 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 20.7738 6.4464 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 1 41 1 0 0 0 0 1 53 1 0 0 0 0 2 42 1 0 0 0 0 2 53 1 0 0 0 0 3 39 1 0 0 0 0 3 47 1 0 0 0 0 4 40 1 0 0 0 0 4 48 1 0 0 0 0 5 37 2 0 0 0 0 6 38 2 0 0 0 0 7 39 2 0 0 0 0 8 40 2 0 0 0 0 9 49 2 0 0 0 0 10 50 2 0 0 0 0 11 51 2 0 0 0 0 12 52 2 0 0 0 0 13 56 2 0 0 0 0 14 57 2 0 0 0 0 15 27 1 0 0 0 0 15 37 1 0 0 0 0 15 80 1 0 0 0 0 16 28 1 0 0 0 0 16 38 1 0 0 0 0 16 81 1 0 0 0 0 17 31 1 0 0 0 0 17 49 1 0 0 0 0 17 98 1 0 0 0 0 18 32 1 0 0 0 0 18 50 1 0 0 0 0 18 99 1 0 0 0 0 19 45 1 0 0 0 0 19 51 1 0 0 0 0 19108 1 0 0 0 0 20 46 1 0 0 0 0 20 52 1 0 0 0 0 20109 1 0 0 0 0 21 43 1 0 0 0 0 21 56 1 0 0 0 0 21118 1 0 0 0 0 22 44 1 0 0 0 0 22 57 1 0 0 0 0 22119 1 0 0 0 0 23 58 2 0 0 0 0 23 62 1 0 0 0 0 24 59 2 0 0 0 0 24 63 1 0 0 0 0 25 60 2 0 0 0 0 25 64 1 0 0 0 0 26 61 2 0 0 0 0 26 65 1 0 0 0 0 27 29 1 0 0 0 0 27 39 1 0 0 0 0 27 74 1 0 0 0 0 28 30 1 0 0 0 0 28 40 1 0 0 0 0 28 75 1 0 0 0 0 29 33 1 0 0 0 0 29 34 1 0 0 0 0 29 76 1 0 0 0 0 30 35 1 0 0 0 0 30 36 1 0 0 0 0 30 77 1 0 0 0 0 31 37 1 0 0 0 0 31 41 1 0 0 0 0 31 78 1 0 0 0 0 32 38 1 0 0 0 0 32 42 1 0 0 0 0 32 79 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 34 85 1 0 0 0 0 34 86 1 0 0 0 0 34 87 1 0 0 0 0 35 88 1 0 0 0 0 35 89 1 0 0 0 0 35 90 1 0 0 0 0 36 91 1 0 0 0 0 36 92 1 0 0 0 0 36 93 1 0 0 0 0 41 94 1 0 0 0 0 41 95 1 0 0 0 0 42 96 1 0 0 0 0 42 97 1 0 0 0 0 43 48 1 0 0 0 0 43 51 1 0 0 0 0 43100 1 0 0 0 0 44 47 1 0 0 0 0 44 52 1 0 0 0 0 44101 1 0 0 0 0 45 49 1 0 0 0 0 45 54 1 0 0 0 0 45102 1 0 0 0 0 46 50 1 0 0 0 0 46 55 1 0 0 0 0 46103 1 0 0 0 0 47104 1 0 0 0 0 47105 1 0 0 0 0 48106 1 0 0 0 0 48107 1 0 0 0 0 53110 1 0 0 0 0 53111 1 0 0 0 0 54112 1 0 0 0 0 54113 1 0 0 0 0 54114 1 0 0 0 0 55115 1 0 0 0 0 55116 1 0 0 0 0 55117 1 0 0 0 0 56 58 1 0 0 0 0 57 59 1 0 0 0 0 58 60 1 0 0 0 0 59 61 1 0 0 0 0 60120 1 0 0 0 0 61121 1 0 0 0 0 62 64 1 0 0 0 0 62 66 2 0 0 0 0 63 65 1 0 0 0 0 63 67 2 0 0 0 0 64 68 2 0 0 0 0 65 69 2 0 0 0 0 66 70 1 0 0 0 0 66122 1 0 0 0 0 67 71 1 0 0 0 0 67123 1 0 0 0 0 68 72 1 0 0 0 0 68124 1 0 0 0 0 69 73 1 0 0 0 0 69125 1 0 0 0 0 70 72 2 0 0 0 0 70126 1 0 0 0 0 71 73 2 0 0 0 0 71127 1 0 0 0 0 72128 1 0 0 0 0 73129 1 0 0 0 0 M END > 44367271 > 1 > 1900 > 18 > 8 > 6 > AAADcfB//ABgAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx/gAAHgQQAAAADSjl1ga+yLLIFAioATX3XACCgSQ3EjAI2KG4dNgKYP7g0bGXIIhmtgDYyMcQAAAIAAAAAAAAACAAAAAAAAAAQAAAAAAAAA== > N-[11,24-diisopropyl-4,17-dimethyl-3,6,10,13,16,19,23,26-octaoxo-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28,30-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.5]hentriacontan-7-yl]quinoxaline-2-carboxamide > N-[4,17-dimethyl-3,6,10,13,16,19,23,26-octaoxo-20-[[oxo(2-quinoxalinyl)methyl]amino]-11,24-di(propan-2-yl)-9,22-dioxa-28,30-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.5]hentriacontan-7-yl]-2-quinoxalinecarboxamide > N-[4,17-dimethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28,30-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.5]hentriacontan-7-yl]quinoxaline-2-carboxamide > N-[4,17-dimethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28,30-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.5]hentriacontan-7-yl]quinoxaline-2-carboxamide > N-[4,17-dimethyl-3,6,10,13,16,19,23,26-octakis(oxidanylidene)-11,24-di(propan-2-yl)-20-(quinoxalin-2-ylcarbonylamino)-9,22-dioxa-28,30-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-octaketo-4,17-dimethyl-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28,30-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.5]hentriacontan-7-yl]quinoxaline-2-carboxamide > InChI=1S/C47H56N12O12S2/c1-22(2)36-46(68)70-17-32(54-40(62)30-15-48-26-11-7-9-13-28(26)52-30)42(64)50-25(6)39(61)57-35-20-73-21-72-19-34(44(66)58-36)56-38(60)24(5)51-43(65)33(18-71-47(69)37(23(3)4)59-45(35)67)55-41(63)31-16-49-27-12-8-10-14-29(27)53-31/h7-16,22-25,32-37H,17-21H2,1-6H3,(H,50,64)(H,51,65)(H,54,62)(H,55,63)(H,56,60)(H,57,61)(H,58,66)(H,59,67) > UPHRNHFWDZRQFQ-UHFFFAOYSA-N > 1.9 > 1044.35820762 > C47H56N12O12S2 > 1045.2 > CC1C(=O)NC2CSCSCC(C(=O)NC(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)NC(=O)C(NC(=O)C(COC(=O)C(NC2=O)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C > CC1C(=O)NC2CSCSCC(C(=O)NC(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)NC(=O)C(NC(=O)C(COC(=O)C(NC2=O)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C > 388 > 1044.35820762 > 0 > 73 > 0 > 8 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 43 21 3 44 22 3 23 58 8 23 62 8 24 59 8 24 63 8 25 60 8 25 64 8 26 61 8 26 65 8 27 29 3 28 30 3 31 41 3 32 42 3 45 54 3 46 55 3 58 60 8 59 61 8 62 64 8 62 66 8 63 65 8 63 67 8 64 68 8 65 69 8 66 70 8 67 71 8 68 72 8 69 73 8 70 72 8 71 73 8 $$$$