458034 -OEChem-04162406422D 141146 0 1 0 0 0 0 0999 V2000 5.1561 -1.0335 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5945 -0.5190 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4893 3.6522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1634 -4.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4102 1.9957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7910 -2.8967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3055 4.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3673 -5.5987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4962 -1.7725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2567 -3.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5683 1.9957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5522 -3.4978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9150 4.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8178 2.6172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3148 -3.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3268 0.4232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9722 -1.5599 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6273 -2.2635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6988 0.7263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8602 -3.1272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9588 3.2199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4323 -5.0809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5110 5.8073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9104 -6.4283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3528 5.0278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2798 0.7263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5568 3.2909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9893 -1.7437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8553 -4.4507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5534 -0.2355 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0304 4.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5001 -5.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3720 1.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0063 -1.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7753 -2.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4893 3.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5034 5.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0308 4.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9978 -0.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0198 3.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9024 -4.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 -1.5245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1605 -6.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4844 -5.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8224 -1.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3137 -3.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4251 -0.2355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6570 1.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3335 -2.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9073 -3.4304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1607 2.6172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4217 3.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2104 -4.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2778 -1.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9304 -3.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3203 -0.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6065 1.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7609 0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5992 -3.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8359 4.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3853 -4.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6339 4.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1243 -5.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5548 4.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2184 -6.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3090 6.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9574 -6.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2299 6.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2211 -6.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1651 7.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7503 -7.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0707 6.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9904 -7.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9915 8.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7602 -8.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9507 7.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0898 0.9840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9427 3.3766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1711 -0.9134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4715 -4.3816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3594 -0.8243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7370 3.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7106 -4.6320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5002 -1.9182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2303 -0.9818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0497 4.7289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7968 5.5684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9572 5.3155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0117 4.7301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4111 4.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0499 3.4906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3934 3.7146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 3.5935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6461 2.7251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4889 -2.1153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5773 -5.9451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9499 -6.7388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7436 -6.3662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5937 -5.6492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0947 -4.9297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3752 -4.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3424 -4.1357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9331 -3.4877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2851 -2.8970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9923 0.0149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1174 1.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 1.6260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1966 0.7504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7554 -2.7164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5574 -3.0705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9116 -2.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8786 -2.8111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7643 2.4753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9850 3.5501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0954 2.7638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0216 -2.1309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6196 -4.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3984 -4.9742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3161 0.6691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1452 -2.3441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8835 -1.8711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4105 -1.1328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0439 -1.2362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8753 -0.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5966 -0.1262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1033 0.5502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 0.3758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4184 -0.4835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9929 -2.5216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5297 2.9782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7151 -5.2635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6310 3.8098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7677 -5.9353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5914 7.6767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2133 -8.1647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6389 6.3868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3988 -7.5597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9129 8.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6298 -8.6819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4469 8.0414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 35 1 0 0 0 0 2 31 1 0 0 0 0 2 59 1 0 0 0 0 3 37 1 0 0 0 0 3 53 1 0 0 0 0 4 42 1 0 0 0 0 4 54 1 0 0 0 0 5 34 2 0 0 0 0 6 36 2 0 0 0 0 7 37 2 0 0 0 0 8 40 2 0 0 0 0 9 42 2 0 0 0 0 10 46 2 0 0 0 0 11 56 2 0 0 0 0 12 58 2 0 0 0 0 13 60 2 0 0 0 0 14 61 2 0 0 0 0 15 28 1 0 0 0 0 15 34 1 0 0 0 0 15 41 1 0 0 0 0 16 30 1 0 0 0 0 16 36 1 0 0 0 0 16 47 1 0 0 0 0 17 27 1 0 0 0 0 17 40 1 0 0 0 0 17 49 1 0 0 0 0 18 29 1 0 0 0 0 18 46 1 0 0 0 0 18 50 1 0 0 0 0 19 43 1 0 0 0 0 19 56 1 0 0 0 0 19117 1 0 0 0 0 20 48 1 0 0 0 0 20 58 1 0 0 0 0 20120 1 0 0 0 0 51 21 1 6 0 0 0 21 60 1 0 0 0 0 21130 1 0 0 0 0 52 22 1 1 0 0 0 22 61 1 0 0 0 0 22131 1 0 0 0 0 23 62 2 0 0 0 0 23 66 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 31 1 0 0 0 0 27 34 1 0 0 0 0 27 78 1 1 0 0 0 28 32 1 1 0 0 0 28 37 1 0 0 0 0 28 79 1 0 0 0 0 29 35 1 0 0 0 0 29 36 1 0 0 0 0 29 80 1 1 0 0 0 30 33 1 1 0 0 0 30 42 1 0 0 0 0 30 81 1 0 0 0 0 31 82 1 0 0 0 0 32 38 1 0 0 0 0 32 39 1 0 0 0 0 32 83 1 0 0 0 0 33 44 1 0 0 0 0 33 45 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 38 87 1 0 0 0 0 38 88 1 0 0 0 0 38 89 1 0 0 0 0 39 90 1 0 0 0 0 39 91 1 0 0 0 0 39 92 1 0 0 0 0 40 43 1 0 0 0 0 41 93 1 0 0 0 0 41 94 1 0 0 0 0 41 95 1 0 0 0 0 43 55 1 1 0 0 0 43 96 1 0 0 0 0 44 97 1 0 0 0 0 44 98 1 0 0 0 0 44 99 1 0 0 0 0 45100 1 0 0 0 0 45101 1 0 0 0 0 45102 1 0 0 0 0 46 48 1 0 0 0 0 47103 1 0 0 0 0 47104 1 0 0 0 0 47105 1 0 0 0 0 48 57 1 6 0 0 0 48106 1 0 0 0 0 49107 1 0 0 0 0 49108 1 0 0 0 0 49109 1 0 0 0 0 50110 1 0 0 0 0 50111 1 0 0 0 0 50112 1 0 0 0 0 51 54 1 0 0 0 0 51 56 1 0 0 0 0 51113 1 0 0 0 0 52 53 1 0 0 0 0 52 58 1 0 0 0 0 52114 1 0 0 0 0 53115 1 0 0 0 0 53116 1 0 0 0 0 54118 1 0 0 0 0 54119 1 0 0 0 0 55121 1 0 0 0 0 55122 1 0 0 0 0 55123 1 0 0 0 0 57124 1 0 0 0 0 57125 1 0 0 0 0 57126 1 0 0 0 0 59127 1 0 0 0 0 59128 1 0 0 0 0 59129 1 0 0 0 0 60 62 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 64132 1 0 0 0 0 65133 1 0 0 0 0 66 68 1 0 0 0 0 66 70 2 0 0 0 0 67 69 1 0 0 0 0 67 71 2 0 0 0 0 68 72 2 0 0 0 0 69 73 2 0 0 0 0 70 74 1 0 0 0 0 70134 1 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 76 2 0 0 0 0 74138 1 0 0 0 0 75 77 2 0 0 0 0 75139 1 0 0 0 0 76140 1 0 0 0 0 77141 1 0 0 0 0 M END > 458034 > 1 > 2200 > 18 > 4 > 7 > AAADcfB//ABgAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx/gAAHgQQAAAADSjl1ga+yLPIFAioATX3XACCgSQ3EjAI2KG4dNgKYP7g0bGXIIhmtgD4yMcQAAAIAAAAAAAAACAAAAAAAAAAQAAAAAAAAA== > N-[(1R,4R,7R,11S,14R,17R,20R,24S)-11,24-diisopropyl-2,4,12,15,17,25-hexamethyl-27-methylsulfanyl-3,6,10,13,16,19,23,26-octaoxo-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide > N-[(1R,4R,7R,11S,14R,17R,20R,24S)-2,4,12,15,17,25-hexamethyl-27-(methylthio)-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-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]-2-quinoxalinecarboxamide > N-[(1R,4R,7R,11S,14R,17R,20R,24S)-2,4,12,15,17,25-hexamethyl-27-methylsulfanyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide > N-[(1R,4R,7R,11S,14R,17R,20R,24S)-2,4,12,15,17,25-hexamethyl-27-methylsulfanyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide > N-[(1R,4R,7R,11S,14R,17R,20R,24S)-2,4,12,15,17,25-hexamethyl-27-methylsulfanyl-3,6,10,13,16,19,23,26-octakis(oxidanylidene)-11,24-di(propan-2-yl)-20-(quinoxalin-2-ylcarbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide > N-[(1R,4R,7R,11S,14R,17R,20R,24S)-11,24-diisopropyl-3,6,10,13,16,19,23,26-octaketo-2,4,12,15,17,25-hexamethyl-27-(methylthio)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide > InChI=1S/C51H64N12O12S2/c1-25(2)38-49(72)74-22-36(59-42(65)34-21-53-30-17-13-15-19-32(30)57-34)44(67)55-28(6)46(69)63(10)40-48(71)62(9)39(26(3)4)50(73)75-23-35(58-41(64)33-20-52-29-16-12-14-18-31(29)56-33)43(66)54-27(5)45(68)60(7)37(47(70)61(38)8)24-77-51(40)76-11/h12-21,25-28,35-40,51H,22-24H2,1-11H3,(H,54,66)(H,55,67)(H,58,64)(H,59,65)/t27-,28-,35-,36-,37+,38+,39+,40-,51?/m1/s1 > AUJXLBOHYWTPFV-CVLRASHMSA-N > 2.7 > 1100.42080787 > C51H64N12O12S2 > 1101.3 > CC1C(=O)N(C2CSC(C(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)SC)C > C[C@@H]1C(=O)N([C@H]2CSC([C@@H](C(=O)N([C@H](C(=O)OC[C@H](C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)C)N(C(=O)[C@H](NC(=O)[C@@H](COC(=O)[C@@H](N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)SC)C > 352 > 1100.42080787 > 0 > 77 > 8 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 31 2 3 51 21 6 52 22 5 23 62 8 23 66 8 24 63 8 24 67 8 25 64 8 25 68 8 26 65 8 26 69 8 27 78 5 28 32 5 29 80 5 30 33 5 43 55 5 48 57 6 62 64 8 63 65 8 66 68 8 66 70 8 67 69 8 67 71 8 68 72 8 69 73 8 70 74 8 71 75 8 72 76 8 73 77 8 74 76 8 75 77 8 $$$$