44582411 -OEChem-05122408162D 144148 0 1 0 0 0 0 0999 V2000 8.2351 -0.6233 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6969 -0.5838 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.8402 -4.4184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6787 -0.0188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.7610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1687 -3.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0563 -4.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.7610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7670 1.0052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.2610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2305 -6.7452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4932 4.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2452 -6.0830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1426 5.0501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3964 6.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7813 -1.5540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.2610 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7772 -3.0896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4424 0.5655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3351 -5.4939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2747 2.9397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5893 -6.5911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0717 5.5776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8319 -7.9950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4694 -9.4591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9041 7.9518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8333 8.4793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -2.1030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1617 -2.4789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1885 -0.4018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1406 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4496 -1.2422 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -1.7610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1911 -0.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0926 -0.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1822 -3.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8067 -3.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4536 -1.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9811 -4.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5249 -4.9078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6206 -1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7316 1.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7775 -3.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4069 0.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9855 2.2362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2960 -5.6351 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1818 -5.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7998 -5.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3023 -5.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9501 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8907 0.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5286 3.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8179 4.6104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5639 -6.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8533 4.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8573 -7.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3610 6.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1760 -8.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1252 -8.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6149 7.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4440 -9.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1439 -9.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5794 7.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7342 -10.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4571 -10.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1580 8.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7475 -10.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1226 9.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4065 9.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4025 10.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6631 10.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6679 10.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4054 -2.4158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4522 -1.9312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8277 0.1024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9466 -2.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8374 -1.3404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4731 0.2222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2609 -0.9460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3443 -3.4339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2197 -3.4834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2692 -2.6079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0424 -1.5192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6476 -0.7364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8647 -1.1312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5662 -5.5264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9577 -1.5306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1409 -0.6731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2834 -0.4899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 -3.2610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.8810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 -3.2610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 0.2759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -0.7980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 -0.7980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 0.2759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7647 -2.4903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1576 -3.1229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7902 -3.7300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5705 0.2312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0050 0.9928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2434 1.4273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1429 2.8359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8682 -5.8738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2327 -5.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7981 -4.6841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0702 -6.0545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3728 -5.1470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3503 -6.0236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2269 -6.0460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1136 1.9019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5481 2.6635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7865 3.0980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4990 0.2770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0109 1.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 0.5174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6767 2.7761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1669 -7.0450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3772 5.0465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3473 3.9884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1182 3.7860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6698 5.7412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5718 -8.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5445 4.8865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5610 -8.7099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0201 7.0759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3066 -11.1324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0619 -10.2985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9271 -11.5180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8104 9.4698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0024 10.3427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2208 11.0842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8276 11.5236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 1 34 1 0 0 0 0 32 2 1 1 0 0 0 2 57 1 0 0 0 0 3 38 1 0 0 0 0 3 53 1 0 0 0 0 4 35 2 0 0 0 0 5 37 2 0 0 0 0 6 38 2 0 0 0 0 7 41 2 0 0 0 0 8 49 1 0 0 0 0 8129 1 0 0 0 0 9 44 2 0 0 0 0 10 49 2 0 0 0 0 11 55 2 0 0 0 0 12 58 2 0 0 0 0 13 60 2 0 0 0 0 14 61 1 0 0 0 0 14135 1 0 0 0 0 15 63 2 0 0 0 0 16 29 1 0 0 0 0 16 35 1 0 0 0 0 16 43 1 0 0 0 0 33 17 1 6 0 0 0 17 37 1 0 0 0 0 17 45 1 0 0 0 0 18 28 1 0 0 0 0 18 41 1 0 0 0 0 18 48 1 0 0 0 0 30 19 1 6 0 0 0 19 44 1 0 0 0 0 19 50 1 0 0 0 0 20 42 1 0 0 0 0 20 55 1 0 0 0 0 20117 1 0 0 0 0 51 21 1 1 0 0 0 21 58 1 0 0 0 0 21127 1 0 0 0 0 52 22 1 1 0 0 0 22 60 1 0 0 0 0 22128 1 0 0 0 0 59 23 1 1 0 0 0 23 63 1 0 0 0 0 23133 1 0 0 0 0 24 62 2 0 0 0 0 24 65 1 0 0 0 0 25 64 2 0 0 0 0 25 67 1 0 0 0 0 26 66 2 0 0 0 0 26 72 1 0 0 0 0 27 69 2 0 0 0 0 27 74 1 0 0 0 0 28 32 1 0 0 0 0 28 37 1 6 0 0 0 28 79 1 0 0 0 0 29 31 1 1 0 0 0 29 38 1 0 0 0 0 29 80 1 0 0 0 0 30 34 1 0 0 0 0 30 35 1 0 0 0 0 30 81 1 0 0 0 0 31 39 1 0 0 0 0 31 40 1 0 0 0 0 31 82 1 0 0 0 0 32 83 1 0 0 0 0 33 36 1 0 0 0 0 33 49 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 36 46 1 0 0 0 0 36 47 1 0 0 0 0 36 87 1 0 0 0 0 39 88 1 0 0 0 0 39 89 1 0 0 0 0 39 90 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 42 1 0 0 0 0 42 54 1 1 0 0 0 42 94 1 0 0 0 0 43 95 1 0 0 0 0 43 96 1 0 0 0 0 43 97 1 0 0 0 0 44 51 1 0 0 0 0 45 98 1 0 0 0 0 45 99 1 0 0 0 0 45100 1 0 0 0 0 46101 1 0 0 0 0 46102 1 0 0 0 0 46103 1 0 0 0 0 47104 1 0 0 0 0 47105 1 0 0 0 0 47106 1 0 0 0 0 48107 1 0 0 0 0 48108 1 0 0 0 0 48109 1 0 0 0 0 50110 1 0 0 0 0 50111 1 0 0 0 0 50112 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 55 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 54120 1 0 0 0 0 56121 1 0 0 0 0 56122 1 0 0 0 0 56123 1 0 0 0 0 57124 1 0 0 0 0 57125 1 0 0 0 0 57126 1 0 0 0 0 58 59 1 0 0 0 0 59 61 1 0 0 0 0 59130 1 0 0 0 0 60 62 1 0 0 0 0 61131 1 0 0 0 0 61132 1 0 0 0 0 62 64 1 0 0 0 0 63 66 1 0 0 0 0 64134 1 0 0 0 0 65 67 1 0 0 0 0 65 68 2 0 0 0 0 66 69 1 0 0 0 0 67 70 2 0 0 0 0 68 71 1 0 0 0 0 68136 1 0 0 0 0 69137 1 0 0 0 0 70 73 1 0 0 0 0 70138 1 0 0 0 0 71 73 2 0 0 0 0 71139 1 0 0 0 0 72 74 1 0 0 0 0 72 75 2 0 0 0 0 73140 1 0 0 0 0 74 76 2 0 0 0 0 75 77 1 0 0 0 0 75141 1 0 0 0 0 76 78 1 0 0 0 0 76142 1 0 0 0 0 77 78 2 0 0 0 0 77143 1 0 0 0 0 78144 1 0 0 0 0 M END > 44582411 > 1 > 2180 > 19 > 6 > 15 > AAADcfB//ABgAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx/gAAHgQQCAAADSjl1ga+yLPIFgioATX3XACCgSQ3EjAI2KG4dNgKcP7g0bGXYIhmtgD4yMcQAAAIAAAAAAAAACAAAAAAAAAAQAAAAAAAAA== > (2S)-2-[[(3S,6R,9S,10R,13S,16R)-6-[[(2S)-2-[[(2R)-3-hydroxy-2-(quinoxaline-2-carbonylamino)propanoyl]amino]propanoyl]-methyl-amino]-3-isopropyl-4,11,13-trimethyl-9-methylsulfanyl-2,5,12,15-tetraoxo-16-(quinoxaline-2-carbonylamino)-1-oxa-8-thia-4,11,14-triazacycloheptadecane-10-carbonyl]-methyl-amino]-3-methyl-butanoic acid > (2S)-2-[[[(3S,6R,9S,10R,13S,16R)-6-[[(2S)-2-[[(2R)-3-hydroxy-1-oxo-2-[[oxo(2-quinoxalinyl)methyl]amino]propyl]amino]-1-oxopropyl]-methylamino]-4,11,13-trimethyl-9-(methylthio)-2,5,12,15-tetraoxo-16-[[oxo(2-quinoxalinyl)methyl]amino]-3-propan-2-yl-1-oxa-8-thia-4,11,14-triazacycloheptadec-10-yl]-oxomethyl]-methylamino]-3-methylbutanoic acid > (2S)-2-[[(3S,6R,9S,10R,13S,16R)-6-[[(2S)-2-[[(2R)-3-hydroxy-2-(quinoxaline-2-carbonylamino)propanoyl]amino]propanoyl]-methylamino]-4,11,13-trimethyl-9-methylsulfanyl-2,5,12,15-tetraoxo-3-propan-2-yl-16-(quinoxaline-2-carbonylamino)-1-oxa-8-thia-4,11,14-triazacycloheptadecane-10-carbonyl]-methylamino]-3-methylbutanoic acid > (2S)-2-[[(3S,6R,9S,10R,13S,16R)-6-[[(2S)-2-[[(2R)-3-hydroxy-2-(quinoxaline-2-carbonylamino)propanoyl]amino]propanoyl]-methylamino]-4,11,13-trimethyl-9-methylsulfanyl-2,5,12,15-tetraoxo-3-propan-2-yl-16-(quinoxaline-2-carbonylamino)-1-oxa-8-thia-4,11,14-triazacycloheptadecane-10-carbonyl]-methylamino]-3-methylbutanoic acid > (2S)-3-methyl-2-[methyl-[[(3S,6R,9S,10R,13S,16R)-4,11,13-trimethyl-6-[methyl-[(2S)-2-[[(2R)-3-oxidanyl-2-(quinoxalin-2-ylcarbonylamino)propanoyl]amino]propanoyl]amino]-9-methylsulfanyl-2,5,12,15-tetrakis(oxidanylidene)-3-propan-2-yl-16-(quinoxalin-2-ylcarbonylamino)-1-oxa-8-thia-4,11,14-triazacycloheptadec-10-yl]carbonyl]amino]butanoic acid > (2S)-2-[[(3S,6R,9S,10R,13S,16R)-6-[[(2S)-2-[[(2R)-3-hydroxy-2-(quinoxaline-2-carbonylamino)propanoyl]amino]propanoyl]-methyl-amino]-3-isopropyl-2,5,12,15-tetraketo-4,11,13-trimethyl-9-(methylthio)-16-(quinoxaline-2-carbonylamino)-1-oxa-8-thia-4,11,14-triazacycloheptadecane-10-carbonyl]-methyl-amino]-3-methyl-butyric acid > InChI=1S/C51H66N12O13S2/c1-25(2)38(49(73)74)61(8)48(72)40-51(77-11)78-24-37(60(7)45(69)27(5)54-43(67)35(22-64)58-41(65)33-20-52-29-16-12-14-18-31(29)56-33)47(71)62(9)39(26(3)4)50(75)76-23-36(44(68)55-28(6)46(70)63(40)10)59-42(66)34-21-53-30-17-13-15-19-32(30)57-34/h12-21,25-28,35-40,51,64H,22-24H2,1-11H3,(H,54,67)(H,55,68)(H,58,65)(H,59,66)(H,73,74)/t27-,28-,35+,36+,37-,38-,39-,40+,51-/m0/s1 > NATOSAUHEAARIR-VLNMHYLBSA-N > 2 > 1118.43137255 > C51H66N12O13S2 > 1119.3 > CC1C(=O)N(C(C(SCC(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C2=NC3=CC=CC=C3N=C2)C(C)C)C)N(C)C(=O)C(C)NC(=O)C(CO)NC(=O)C4=NC5=CC=CC=C5N=C4)SC)C(=O)N(C)C(C(C)C)C(=O)O)C > C[C@H]1C(=O)N([C@@H]([C@H](SC[C@@H](C(=O)N([C@H](C(=O)OC[C@H](C(=O)N1)NC(=O)C2=NC3=CC=CC=C3N=C2)C(C)C)C)N(C)C(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)C4=NC5=CC=CC=C5N=C4)SC)C(=O)N(C)[C@@H](C(C)C)C(=O)O)C > 384 > 1118.43137255 > 0 > 78 > 9 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 33 17 6 30 19 6 32 2 5 51 21 5 52 22 5 59 23 5 24 62 8 24 65 8 25 64 8 25 67 8 26 66 8 26 72 8 27 69 8 27 74 8 28 37 6 29 31 5 42 54 5 62 64 8 65 67 8 65 68 8 66 69 8 67 70 8 68 71 8 70 73 8 71 73 8 72 74 8 72 75 8 74 76 8 75 77 8 76 78 8 77 78 8 $$$$