44376268 -OEChem-04242418142D 145150 0 1 0 0 0 0 0999 V2000 5.1561 -1.0335 0.0000 S 0 3 3 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 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 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 2.0000 -0.6376 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 6.3055 4.6352 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 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 3.3268 0.4232 0.0000 N 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 7.9722 -1.5599 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 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 3 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 6.9893 -1.7437 0.0000 C 0 0 3 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 4.3720 1.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5568 3.2909 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8553 -4.4507 0.0000 C 0 0 3 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 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 4.4824 -1.7725 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 8.8224 -1.0335 0.0000 C 0 0 0 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 3.3010 -1.5245 0.0000 C 0 0 3 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 6.4893 3.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4251 -0.2355 0.0000 C 0 0 3 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 8.3137 -3.5164 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 5.9024 -4.7539 0.0000 C 0 0 0 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 2.7609 0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6041 -2.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9073 -3.4304 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1607 2.6172 0.0000 C 0 0 3 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 10.3203 -0.6812 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 2.9304 -3.2165 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 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 4.8971 0.7835 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 6.9893 -1.1237 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 4.9427 3.3766 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 4.7370 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 4.0242 -1.3548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0647 -2.2307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9406 -2.1902 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 3.1683 -2.1302 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 9.9923 0.0149 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 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 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 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 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 2.0216 -2.1309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0133 -2.6654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7921 -3.0683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1950 -2.2895 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 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 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 3.6196 -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 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 28 1 0 0 0 0 1 30 1 0 0 0 0 1 37 1 0 0 0 0 2 28 1 0 0 0 0 2 52 1 0 0 0 0 3 31 2 0 0 0 0 4 34 2 0 0 0 0 5 43 1 0 0 0 0 5 56 1 0 0 0 0 6 49 1 0 0 0 0 6 58 1 0 0 0 0 7 38 2 0 0 0 0 8 39 2 0 0 0 0 9 43 2 0 0 0 0 10 49 2 0 0 0 0 11 59 2 0 0 0 0 12 60 2 0 0 0 0 13 61 2 0 0 0 0 14 62 2 0 0 0 0 15 27 1 0 0 0 0 15 38 1 0 0 0 0 15 40 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 42 1 0 0 0 0 17 29 1 0 0 0 0 17 39 1 0 0 0 0 17 45 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 46 1 0 0 0 0 19 41 1 0 0 0 0 19 59 1 0 0 0 0 19120 1 0 0 0 0 20 44 1 0 0 0 0 20 60 1 0 0 0 0 20124 1 0 0 0 0 21 54 1 0 0 0 0 21 61 1 0 0 0 0 21134 1 0 0 0 0 22 55 1 0 0 0 0 22 62 1 0 0 0 0 22135 1 0 0 0 0 23 63 2 0 0 0 0 23 67 1 0 0 0 0 24 64 2 0 0 0 0 24 68 1 0 0 0 0 25 65 2 0 0 0 0 25 69 1 0 0 0 0 26 66 2 0 0 0 0 26 70 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 27 79 1 0 0 0 0 28 80 1 0 0 0 0 29 30 1 0 0 0 0 29 34 1 0 0 0 0 29 81 1 0 0 0 0 30 82 1 0 0 0 0 30 83 1 0 0 0 0 32 35 1 0 0 0 0 32 43 1 0 0 0 0 32 84 1 0 0 0 0 33 36 1 0 0 0 0 33 49 1 0 0 0 0 33 85 1 0 0 0 0 35 47 1 0 0 0 0 35 48 1 0 0 0 0 35 86 1 0 0 0 0 36 50 1 0 0 0 0 36 51 1 0 0 0 0 36 87 1 0 0 0 0 37 88 1 0 0 0 0 37 89 1 0 0 0 0 37 90 1 0 0 0 0 38 41 1 0 0 0 0 39 44 1 0 0 0 0 40 91 1 0 0 0 0 40 92 1 0 0 0 0 40 93 1 0 0 0 0 41 53 1 0 0 0 0 41 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 44 57 1 0 0 0 0 44 98 1 0 0 0 0 45 99 1 0 0 0 0 45100 1 0 0 0 0 45101 1 0 0 0 0 46102 1 0 0 0 0 46103 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 48110 1 0 0 0 0 50111 1 0 0 0 0 50112 1 0 0 0 0 50113 1 0 0 0 0 51114 1 0 0 0 0 51115 1 0 0 0 0 51116 1 0 0 0 0 52117 1 0 0 0 0 52118 1 0 0 0 0 52119 1 0 0 0 0 53121 1 0 0 0 0 53122 1 0 0 0 0 53123 1 0 0 0 0 54 58 1 0 0 0 0 54 59 1 0 0 0 0 54125 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 55126 1 0 0 0 0 56127 1 0 0 0 0 56128 1 0 0 0 0 57129 1 0 0 0 0 57130 1 0 0 0 0 57131 1 0 0 0 0 58132 1 0 0 0 0 58133 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 65136 1 0 0 0 0 66137 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 71138 1 0 0 0 0 72 76 1 0 0 0 0 72139 1 0 0 0 0 73 77 1 0 0 0 0 73140 1 0 0 0 0 74 78 1 0 0 0 0 74141 1 0 0 0 0 75 77 2 0 0 0 0 75142 1 0 0 0 0 76 78 2 0 0 0 0 76143 1 0 0 0 0 77144 1 0 0 0 0 78145 1 0 0 0 0 M CHG 1 1 1 M END > 44376268 > 1 > 2230 > 17 > 4 > 7 > AAADcfB//ABgAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx/gAAHgQQAAAADSjl1ga+yLPIFAioATX3XACCgSQ3EjAI2KG4dNgKYP7g0bGXIIhmtgD4yMcQAAAIAAAAAAAAACAAAAAAAAAAQAAAAAAAAA== > N-[11,24-diisopropyl-2,4,12,15,17,25,28-heptamethyl-27-methylsulfanyl-3,6,10,13,16,19,23,26-octaoxo-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28-thionia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide > N-[2,4,12,15,17,25,28-heptamethyl-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-thionia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]-2-quinoxalinecarboxamide > N-[2,4,12,15,17,25,28-heptamethyl-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-thionia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide > N-[2,4,12,15,17,25,28-heptamethyl-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-thionia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide > N-[2,4,12,15,17,25,28-heptamethyl-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-thionia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide > N-[11,24-diisopropyl-3,6,10,13,16,19,23,26-octaketo-2,4,12,15,17,25,28-heptamethyl-27-(methylthio)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28-thionia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide > InChI=1S/C52H66N12O12S2/c1-26(2)39-50(73)75-23-37(60-43(66)35-22-54-31-18-14-16-20-33(31)58-35)45(68)56-29(6)47(70)64(10)41-49(72)63(9)40(27(3)4)51(74)76-24-36(59-42(65)34-21-53-30-17-13-15-19-32(30)57-34)44(67)55-28(5)46(69)61(7)38(48(71)62(39)8)25-78(12)52(41)77-11/h13-22,26-29,36-41,52H,23-25H2,1-12H3,(H3-,55,56,59,60,65,66,67,68)/p+1 > ISPBHHFTNKVINL-UHFFFAOYSA-O > 2.8 > 1115.44428297 > C52H67N12O12S2+ > 1116.3 > CC1C(=O)N(C2C[S+](C(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 > CC1C(=O)N(C2C[S+](C(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 > 328 > 1115.44428297 > 1 > 78 > 0 > 9 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 28 2 3 54 21 3 55 22 3 23 63 8 23 67 8 24 64 8 24 68 8 25 65 8 25 69 8 26 66 8 26 70 8 27 31 3 29 30 3 32 35 3 33 36 3 41 53 3 44 57 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 $$$$