16072305 -OEChem-05112413492D 157162 0 1 0 0 0 0 0999 V2000 3.2667 7.7460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1162 5.7851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2143 6.4191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7423 6.7260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4463 9.2851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5205 3.3454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4874 2.4684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9399 6.3775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5803 5.7851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4932 4.2082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4350 4.2385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6766 1.9567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8990 -5.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8482 7.7851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9104 4.2851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8482 5.7851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4463 7.2851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3123 4.7851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1726 3.1541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0944 3.1297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0036 2.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8071 1.9692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6503 8.8600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2452 7.9522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9822 7.2851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6390 8.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1503 9.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9822 6.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7142 7.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5803 7.7851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0444 4.7851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2536 5.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2423 5.8600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6474 4.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8482 4.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5553 4.0780 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1783 4.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9104 3.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5803 8.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3123 5.7851 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5553 4.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9604 3.6297 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2624 3.3709 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4463 6.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9551 6.5511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5243 4.4556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2284 3.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6131 7.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1812 3.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9361 5.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2559 8.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7985 2.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7107 1.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2407 8.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9138 9.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4519 0.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8835 8.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5566 9.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5414 9.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4860 0.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1590 0.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2272 -0.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9002 -0.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9343 -1.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6754 -2.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7095 -2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3825 -2.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4507 -3.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1237 -3.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4495 -7.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1578 -4.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7083 -6.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4836 -7.7719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6742 -6.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 -8.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9330 -5.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 -8.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -9.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0311 8.8278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0834 7.3536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2052 6.9404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2555 8.8230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6381 9.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6872 10.0360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8403 10.2629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6134 9.4160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3573 5.2856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1172 8.0951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8526 8.2074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2545 6.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6371 5.8230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8615 5.8278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0128 4.4513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1839 5.2630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4682 5.7851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2493 4.9456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5382 4.2482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9472 3.9570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9832 7.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3682 9.3677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9697 8.6774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1111 5.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0922 4.3880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3948 4.6769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3825 4.2530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7008 2.9325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6923 4.7851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3536 7.0261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7432 3.8755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5501 2.6622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0944 2.5097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3623 6.7260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2145 7.9658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0762 7.1808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2082 3.6430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5759 3.1578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4047 2.2445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4463 9.9051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5011 5.1114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1915 5.9318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3712 5.6222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3384 6.8524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7715 1.4803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4038 1.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6607 3.6112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4527 7.5006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3033 9.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5698 1.3964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4296 2.4610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4940 8.7416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3446 10.5452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9400 10.2639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0476 0.9115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7579 0.1853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6283 -0.6533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3386 -1.3795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 -1.9863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9814 -2.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8518 -3.5511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5621 -4.2773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5035 -8.1308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0671 -7.5672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6543 -5.9296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0907 -6.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4295 -7.1543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8659 -7.7179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7283 -6.9060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2919 -6.3424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2788 -9.3555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8424 -8.7919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8790 -4.7048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3154 -5.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2048 -8.3790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6412 -8.9426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 -9.8021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8395 -10.5615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5989 -10.1231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24 1 1 1 0 0 0 1 89 1 0 0 0 0 2 28 2 0 0 0 0 3 29 2 0 0 0 0 33 4 1 1 0 0 0 4112 1 0 0 0 0 5 39 1 0 0 0 0 5118 1 0 0 0 0 6 37 2 0 0 0 0 7 38 2 0 0 0 0 45 8 1 1 0 0 0 8122 1 0 0 0 0 9 44 2 0 0 0 0 46 10 1 1 0 0 0 10125 1 0 0 0 0 11 47 2 0 0 0 0 12 53 2 0 0 0 0 13 71 1 0 0 0 0 13 76 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 29 1 0 0 0 0 15 31 1 0 0 0 0 15 34 1 0 0 0 0 15 38 1 0 0 0 0 16 28 1 0 0 0 0 16 35 1 0 0 0 0 16 95 1 0 0 0 0 17 30 1 0 0 0 0 17 44 1 0 0 0 0 17 99 1 0 0 0 0 18 37 1 0 0 0 0 18 40 1 0 0 0 0 18107 1 0 0 0 0 19 36 1 0 0 0 0 19 49 1 0 0 0 0 19110 1 0 0 0 0 20 42 1 0 0 0 0 20 47 1 0 0 0 0 20111 1 0 0 0 0 21 43 1 0 0 0 0 21 53 1 0 0 0 0 21117 1 0 0 0 0 22 52 1 0 0 0 0 22128 1 0 0 0 0 22129 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 23 27 1 1 0 0 0 23 79 1 0 0 0 0 24 25 1 0 0 0 0 24 80 1 0 0 0 0 25 28 1 0 0 0 0 25 81 1 1 0 0 0 26 82 1 0 0 0 0 26 83 1 0 0 0 0 27 84 1 0 0 0 0 27 85 1 0 0 0 0 27 86 1 0 0 0 0 29 30 1 0 0 0 0 30 39 1 1 0 0 0 30 88 1 0 0 0 0 31 32 1 0 0 0 0 31 37 1 0 0 0 0 31 87 1 1 0 0 0 32 33 1 0 0 0 0 32 90 1 0 0 0 0 32 91 1 0 0 0 0 33 34 1 0 0 0 0 33 92 1 0 0 0 0 34 93 1 0 0 0 0 34 94 1 0 0 0 0 35 36 1 0 0 0 0 35 96 1 0 0 0 0 35 97 1 0 0 0 0 36 41 1 0 0 0 0 36 98 1 0 0 0 0 38 42 1 0 0 0 0 39100 1 0 0 0 0 39101 1 0 0 0 0 40 44 1 0 0 0 0 40 45 1 0 0 0 0 40102 1 1 0 0 0 41 43 1 0 0 0 0 41103 1 0 0 0 0 41104 1 0 0 0 0 42 46 1 0 0 0 0 42105 1 6 0 0 0 43 47 1 0 0 0 0 43106 1 0 0 0 0 45 48 1 0 0 0 0 45108 1 0 0 0 0 46 50 1 0 0 0 0 46109 1 0 0 0 0 48 51 1 0 0 0 0 48113 1 0 0 0 0 48114 1 0 0 0 0 49 52 1 0 0 0 0 49115 1 0 0 0 0 49116 1 0 0 0 0 50119 1 0 0 0 0 50120 1 0 0 0 0 50121 1 0 0 0 0 51 54 2 0 0 0 0 51 55 1 0 0 0 0 52123 1 0 0 0 0 52124 1 0 0 0 0 53 56 1 0 0 0 0 54 57 1 0 0 0 0 54126 1 0 0 0 0 55 58 2 0 0 0 0 55127 1 0 0 0 0 56 60 2 0 0 0 0 56 61 1 0 0 0 0 57 59 2 0 0 0 0 57130 1 0 0 0 0 58 59 1 0 0 0 0 58131 1 0 0 0 0 59132 1 0 0 0 0 60 62 1 0 0 0 0 60133 1 0 0 0 0 61 63 2 0 0 0 0 61134 1 0 0 0 0 62 64 2 0 0 0 0 62135 1 0 0 0 0 63 64 1 0 0 0 0 63136 1 0 0 0 0 64 65 1 0 0 0 0 65 66 2 0 0 0 0 65 67 1 0 0 0 0 66 68 1 0 0 0 0 66137 1 0 0 0 0 67 69 2 0 0 0 0 67138 1 0 0 0 0 68 71 2 0 0 0 0 68139 1 0 0 0 0 69 71 1 0 0 0 0 69140 1 0 0 0 0 70 72 1 0 0 0 0 70 73 1 0 0 0 0 70141 1 0 0 0 0 70142 1 0 0 0 0 72 74 1 0 0 0 0 72143 1 0 0 0 0 72144 1 0 0 0 0 73 75 1 0 0 0 0 73145 1 0 0 0 0 73146 1 0 0 0 0 74 76 1 0 0 0 0 74147 1 0 0 0 0 74148 1 0 0 0 0 75 77 1 0 0 0 0 75149 1 0 0 0 0 75150 1 0 0 0 0 76151 1 0 0 0 0 76152 1 0 0 0 0 77 78 1 0 0 0 0 77153 1 0 0 0 0 77154 1 0 0 0 0 78155 1 0 0 0 0 78156 1 0 0 0 0 78157 1 0 0 0 0 M END > 16072305 > 1 > 1950 > 15 > 12 > 19 > AAADcfB//AAAAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAAABUAAAHgAQCAAADTzhmAYyBoPABgCIAiFSEACCCAAkIAAIiIGODMgOdjaE9TuWeSjm9hGYqYe+yfCO4AAAAAAAAADAAAAAAAAAAAAAAAAAAA== > N-[(3R,6S,9S,11R,15S,24S,25S,26S)-20-(2-aminoethylamino)-11,25-dihydroxy-15-[(1R)-1-hydroxyethyl]-3-(hydroxymethyl)-6-[(1R)-1-hydroxy-2-phenyl-ethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-(4-octoxyphenyl)benzamide > N-[(3R,6S,9S,11R,15S,24S,25S,26S)-20-(2-aminoethylamino)-11,25-dihydroxy-15-[(1R)-1-hydroxyethyl]-3-(hydroxymethyl)-6-[(1R)-1-hydroxy-2-phenylethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-(4-octoxyphenyl)benzamide > N-[(3R,6S,9S,11R,15S,24S,25S,26S)-20-(2-aminoethylamino)-11,25-dihydroxy-15-[(1R)-1-hydroxyethyl]-3-(hydroxymethyl)-6-[(1R)-1-hydroxy-2-phenylethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-(4-octoxyphenyl)benzamide > N-[(3R,6S,9S,11R,15S,24S,25S,26S)-20-(2-aminoethylamino)-11,25-dihydroxy-15-[(1R)-1-hydroxyethyl]-3-(hydroxymethyl)-6-[(1R)-1-hydroxy-2-phenylethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-(4-octoxyphenyl)benzamide > N-[(3R,6S,9S,11R,15S,24S,25S,26S)-20-(2-azanylethylamino)-3-(hydroxymethyl)-26-methyl-11,25-bis(oxidanyl)-15-[(1R)-1-oxidanylethyl]-2,5,8,14,17,23-hexakis(oxidanylidene)-6-[(1R)-1-oxidanyl-2-phenyl-ethyl]-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-(4-octoxyphenyl)benzamide > N-[(3R,6S,9S,11R,15S,24S,25S,26S)-20-(2-aminoethylamino)-11,25-dihydroxy-15-[(1R)-1-hydroxyethyl]-6-[(1R)-1-hydroxy-2-phenyl-ethyl]-2,5,8,14,17,23-hexaketo-26-methyl-3-methylol-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-(4-octoxyphenyl)benzamide > InChI=1S/C56H79N9O13/c1-4-5-6-7-8-12-25-78-41-21-19-37(20-22-41)36-15-17-38(18-16-36)50(71)60-42-27-39(58-24-23-57)29-59-54(75)48-49(70)33(2)30-65(48)55(76)43(32-66)61-53(74)47(45(69)26-35-13-10-9-11-14-35)63-52(73)44-28-40(68)31-64(44)56(77)46(34(3)67)62-51(42)72/h9-11,13-22,33-34,39-40,42-49,58,66-70H,4-8,12,23-32,57H2,1-3H3,(H,59,75)(H,60,71)(H,61,74)(H,62,72)(H,63,73)/t33-,34+,39?,40+,42?,43+,44-,45+,46-,47-,48-,49-/m0/s1 > JYBUOENGZWTZGU-JZCGONIASA-N > 3.2 > 1085.57973361 > C56H79N9O13 > 1086.3 > CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3CC(CNC(=O)C4C(C(CN4C(=O)C(NC(=O)C(NC(=O)C5CC(CN5C(=O)C(NC3=O)C(C)O)O)C(CC6=CC=CC=C6)O)CO)C)O)NCCN > CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3CC(CNC(=O)[C@@H]4[C@H]([C@H](CN4C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]5C[C@H](CN5C(=O)[C@@H](NC3=O)[C@@H](C)O)O)[C@@H](CC6=CC=CC=C6)O)CO)C)O)NCCN > 335 > 1085.57973361 > 0 > 78 > 10 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 24 1 5 46 10 5 36 19 3 43 21 3 23 27 5 25 81 5 30 39 5 31 87 5 33 4 5 40 102 5 42 105 6 51 54 8 51 55 8 54 57 8 55 58 8 56 60 8 56 61 8 57 59 8 58 59 8 60 62 8 61 63 8 62 64 8 63 64 8 65 66 8 65 67 8 66 68 8 67 69 8 68 71 8 69 71 8 45 8 5 $$$$