70674146 -OEChem-05122415392D 180185 0 1 0 0 0 0 0999 V2000 7.7081 2.1916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9192 -1.4324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0900 0.9782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6060 6.5378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 4.8231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0488 -2.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4103 -4.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3793 3.8509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0159 -4.4942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1721 -4.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.8231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 -6.4724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1070 -6.4403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1272 5.5718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.8231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 2.8231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2921 4.9474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5506 -0.0783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.8760 2.1916 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0335 -0.0783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0236 -2.6297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5605 -2.6297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7921 -3.6373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.3231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3956 0.4794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.7920 2.7652 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7923 -6.8398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4924 0.9200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4941 0.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9446 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6593 3.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4254 4.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3190 4.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9248 3.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1587 4.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6661 1.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5219 2.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2921 4.9474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2651 4.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9180 1.9048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1962 3.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3374 -1.9023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7467 -1.0363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9463 0.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3934 -0.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8374 -1.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0917 0.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6649 -1.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5353 -2.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4082 5.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7988 -3.5212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4671 -0.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 3.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2467 -1.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8591 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7250 -3.1792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1066 3.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5682 -4.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0646 3.4515 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4157 -1.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6514 -3.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7853 -3.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3264 6.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4546 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9927 -0.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.8231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2952 4.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2956 -5.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1738 -4.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8346 -2.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5696 -3.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8492 -4.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9885 -0.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2532 4.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8305 -2.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4074 -1.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0650 -6.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6857 -4.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9653 -5.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8836 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9806 4.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4838 5.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9386 4.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4418 5.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1692 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 6.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0540 0.4816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6371 1.5815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9248 1.2237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6664 0.6967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5047 4.2256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1103 3.1997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4134 4.8878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7661 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4503 5.3227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5311 4.1342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5332 3.7447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4738 3.1997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7232 4.5245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8180 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1415 2.7990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9850 2.5131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5595 5.5067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3640 4.3316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7551 5.0966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0531 4.1342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1800 2.4668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9400 -0.1859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 3.6331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8862 2.7861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2834 -2.5199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3086 -0.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9824 0.8198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3274 0.2369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9103 -0.4181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8394 -1.0292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6717 -1.3050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9475 -0.4727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3242 -1.9504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1159 -1.8578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3270 1.7662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6441 -0.1859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2570 -1.9454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9413 -2.6773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1544 -4.0291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6251 -3.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3239 -3.3396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9989 -4.2487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2275 -5.0122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9216 2.8482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9590 -3.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7921 -4.2573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5719 5.7674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8957 6.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0808 6.9060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.0131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9482 0.5165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.1331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2233 5.0403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6763 4.4606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8649 -5.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6363 -4.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5783 1.0719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5798 -4.2506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2458 -4.6886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4770 -2.5466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 4.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 5.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0669 -3.5185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2800 -3.8443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3462 0.0998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3859 2.9431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6490 2.1620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0902 -2.6944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0248 -1.3712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2550 -5.1276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4680 -5.4533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8376 3.4218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0329 6.1098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4504 -4.6850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 6.6331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3896 3.8864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5848 6.5745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6494 -7.4431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3863 -6.6620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.5131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 7.4431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 5.0131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5023 -6.8426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2702 6.1750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 7.4431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 2 0 0 0 0 2 47 2 0 0 0 0 3 48 2 0 0 0 0 4 51 2 0 0 0 0 5 54 2 0 0 0 0 6 55 2 0 0 0 0 7 56 2 0 0 0 0 8 58 2 0 0 0 0 9 63 2 0 0 0 0 10 70 1 0 0 0 0 10168 1 0 0 0 0 11 78 1 0 0 0 0 11175 1 0 0 0 0 12 78 2 0 0 0 0 13 84 1 0 0 0 0 13178 1 0 0 0 0 14 80 2 0 0 0 0 15 91 1 0 0 0 0 15179 1 0 0 0 0 16 94 1 0 0 0 0 16180 1 0 0 0 0 17 32 1 0 0 0 0 17 37 1 0 0 0 0 17 42 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 51 1 0 0 0 0 19 29 1 0 0 0 0 19 47 1 0 0 0 0 19116 1 0 0 0 0 41 20 1 6 0 0 0 20 58 1 0 0 0 0 20129 1 0 0 0 0 21 44 1 0 0 0 0 21 48 1 0 0 0 0 21130 1 0 0 0 0 22 43 1 0 0 0 0 22 56 1 0 0 0 0 22134 1 0 0 0 0 23 55 1 0 0 0 0 23 57 1 0 0 0 0 23139 1 0 0 0 0 24 52 1 0 0 0 0 24 63 1 0 0 0 0 24140 1 0 0 0 0 25 54 1 0 0 0 0 67 25 1 6 0 0 0 25144 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 26151 1 0 0 0 0 60 27 1 6 0 0 0 27160 1 0 0 0 0 27161 1 0 0 0 0 28 80 1 0 0 0 0 28173 1 0 0 0 0 28174 1 0 0 0 0 29 30 1 1 0 0 0 29 37 1 0 0 0 0 29 95 1 0 0 0 0 30 31 1 0 0 0 0 30 96 1 0 0 0 0 30 97 1 0 0 0 0 31 45 1 0 0 0 0 31 46 1 0 0 0 0 31 98 1 0 0 0 0 32 33 1 0 0 0 0 32 99 1 0 0 0 0 32100 1 0 0 0 0 33 34 1 0 0 0 0 33101 1 0 0 0 0 33102 1 0 0 0 0 34 39 1 0 0 0 0 34103 1 0 0 0 0 34104 1 0 0 0 0 35 36 1 0 0 0 0 35 38 1 0 0 0 0 35105 1 0 0 0 0 35106 1 0 0 0 0 36 40 1 0 0 0 0 36107 1 0 0 0 0 36108 1 0 0 0 0 38 41 1 0 0 0 0 38109 1 0 0 0 0 38110 1 0 0 0 0 39111 1 0 0 0 0 39112 1 0 0 0 0 40113 1 0 0 0 0 40114 1 0 0 0 0 41 48 1 0 0 0 0 41115 1 0 0 0 0 42 54 1 0 0 0 0 42117 1 0 0 0 0 42118 1 0 0 0 0 43 47 1 0 0 0 0 43 50 1 1 0 0 0 43119 1 0 0 0 0 44 49 1 1 0 0 0 44 55 1 0 0 0 0 44120 1 0 0 0 0 45121 1 0 0 0 0 45122 1 0 0 0 0 45123 1 0 0 0 0 46124 1 0 0 0 0 46125 1 0 0 0 0 46126 1 0 0 0 0 49 53 1 0 0 0 0 49127 1 0 0 0 0 49128 1 0 0 0 0 50 62 1 0 0 0 0 50131 1 0 0 0 0 50132 1 0 0 0 0 51 64 1 0 0 0 0 52 56 1 0 0 0 0 52 59 1 1 0 0 0 52133 1 0 0 0 0 53 61 1 0 0 0 0 53 65 2 0 0 0 0 57 63 1 0 0 0 0 57 70 1 1 0 0 0 57135 1 0 0 0 0 58 60 1 0 0 0 0 59 69 1 0 0 0 0 59136 1 0 0 0 0 59137 1 0 0 0 0 60 68 1 0 0 0 0 60138 1 0 0 0 0 61 66 1 0 0 0 0 61 71 2 0 0 0 0 62 73 2 0 0 0 0 62 74 1 0 0 0 0 64141 1 0 0 0 0 64142 1 0 0 0 0 64143 1 0 0 0 0 65145 1 0 0 0 0 66 75 2 0 0 0 0 67 72 1 0 0 0 0 67 78 1 0 0 0 0 67146 1 0 0 0 0 68 76 1 0 0 0 0 68147 1 0 0 0 0 68148 1 0 0 0 0 69 80 1 0 0 0 0 69149 1 0 0 0 0 69150 1 0 0 0 0 70152 1 0 0 0 0 70153 1 0 0 0 0 71 77 1 0 0 0 0 71154 1 0 0 0 0 72 83 1 0 0 0 0 72155 1 0 0 0 0 72156 1 0 0 0 0 73 81 1 0 0 0 0 73157 1 0 0 0 0 74 82 2 0 0 0 0 74158 1 0 0 0 0 75 79 1 0 0 0 0 75159 1 0 0 0 0 76 85 2 0 0 0 0 76 86 1 0 0 0 0 77 79 2 0 0 0 0 77162 1 0 0 0 0 79163 1 0 0 0 0 81 84 2 0 0 0 0 81164 1 0 0 0 0 82 84 1 0 0 0 0 82165 1 0 0 0 0 83 87 2 0 0 0 0 83 88 1 0 0 0 0 85 89 1 0 0 0 0 85166 1 0 0 0 0 86 90 2 0 0 0 0 86167 1 0 0 0 0 87 92 1 0 0 0 0 87169 1 0 0 0 0 88 93 2 0 0 0 0 88170 1 0 0 0 0 89 91 2 0 0 0 0 89171 1 0 0 0 0 90 91 1 0 0 0 0 90172 1 0 0 0 0 92 94 2 0 0 0 0 92176 1 0 0 0 0 93 94 1 0 0 0 0 93177 1 0 0 0 0 M END > 70674146 > 1 > 2520 > 17 > 15 > 20 > AAADcfB//gAAAAAAAAAAAAAAAAAAAWAAAAAwYMGAAAAAAFgB9AAAHgAQCAAADSzhngY+zvPJkgCoAzX3XACCgCAxIiAI2aG+bJgKdvbCkbOUcAhm9hHY2Aecy+COoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > (2S)-2-[[2-[(2S,5S,8S,11S,14S,26S)-21-acetyl-26-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-8-(3-amino-3-oxo-propyl)-5-(hydroxymethyl)-11-[(4-hydroxyphenyl)methyl]-2-(1H-indol-3-ylmethyl)-14-isobutyl-3,6,9,12,15,27-hexaoxo-1,4,7,10,13,16,21-heptazacycloheptacos-16-yl]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid > (2S)-2-[[2-[(2S,5S,8S,11S,14S,26S)-21-acetyl-26-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-8-(3-amino-3-oxopropyl)-5-(hydroxymethyl)-11-[(4-hydroxyphenyl)methyl]-2-(1H-indol-3-ylmethyl)-14-(2-methylpropyl)-3,6,9,12,15,27-hexaoxo-1,4,7,10,13,16,21-heptazacycloheptacos-16-yl]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)propanoic acid > (2S)-2-[[2-[(2S,5S,8S,11S,14S,26S)-21-acetyl-26-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-8-(3-amino-3-oxopropyl)-5-(hydroxymethyl)-11-[(4-hydroxyphenyl)methyl]-2-(1H-indol-3-ylmethyl)-14-(2-methylpropyl)-3,6,9,12,15,27-hexaoxo-1,4,7,10,13,16,21-heptazacycloheptacos-16-yl]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid > (2S)-2-[[2-[(2S,5S,8S,11S,14S,26S)-21-acetyl-26-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-8-(3-amino-3-oxopropyl)-5-(hydroxymethyl)-11-[(4-hydroxyphenyl)methyl]-2-(1H-indol-3-ylmethyl)-14-(2-methylpropyl)-3,6,9,12,15,27-hexaoxo-1,4,7,10,13,16,21-heptazacycloheptacos-16-yl]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid > (2S)-2-[2-[(2S,5S,8S,11S,14S,26S)-26-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-8-(3-azanyl-3-oxidanylidene-propyl)-21-ethanoyl-5-(hydroxymethyl)-11-[(4-hydroxyphenyl)methyl]-2-(1H-indol-3-ylmethyl)-14-(2-methylpropyl)-3,6,9,12,15,27-hexakis(oxidanylidene)-1,4,7,10,13,16,21-heptazacycloheptacos-16-yl]ethanoylamino]-3-(4-hydroxyphenyl)propanoic acid > (2S)-2-[[2-[(2S,5S,8S,11S,14S,26S)-21-acetyl-26-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-8-(3-amino-3-keto-propyl)-11-(4-hydroxybenzyl)-2-(1H-indol-3-ylmethyl)-14-isobutyl-3,6,9,12,15,27-hexaketo-5-methylol-1,4,7,10,13,16,21-heptazacycloheptacos-16-yl]acetyl]amino]-3-(4-hydroxyphenyl)propionic acid > InChI=1S/C66H86N12O16/c1-38(2)30-54-65(92)78(36-58(85)70-55(66(93)94)33-42-17-23-46(83)24-18-42)29-9-8-28-77(39(3)80)27-7-6-12-50(71-59(86)48(67)31-40-13-19-44(81)20-14-40)60(87)74-53(34-43-35-69-49-11-5-4-10-47(43)49)63(90)76-56(37-79)64(91)72-51(25-26-57(68)84)61(88)73-52(62(89)75-54)32-41-15-21-45(82)22-16-41/h4-5,10-11,13-24,35,38,48,50-56,69,79,81-83H,6-9,12,25-34,36-37,67H2,1-3H3,(H2,68,84)(H,70,85)(H,71,86)(H,72,91)(H,73,88)(H,74,87)(H,75,89)(H,76,90)(H,93,94)/t48-,50-,51-,52-,53-,54-,55-,56-/m0/s1 > YEUNITLVAXTCQJ-UUQUMJNISA-N > 0.5 > 1302.62847470 > C66H86N12O16 > 1303.5 > CC(C)CC1C(=O)N(CCCCN(CCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)CCC(=O)N)CO)CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CC=C(C=C5)O)N)C(=O)C)CC(=O)NC(CC6=CC=C(C=C6)O)C(=O)O > CC(C)C[C@H]1C(=O)N(CCCCN(CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)CCC(=O)N)CO)CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CC=C(C=C5)O)N)C(=O)C)CC(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)O > 447 > 1302.62847470 > 0 > 94 > 8 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 41 20 6 67 25 6 26 65 8 26 66 8 60 27 6 29 30 5 43 50 5 44 49 5 52 59 5 53 61 8 53 65 8 57 70 5 61 66 8 61 71 8 62 73 8 62 74 8 66 75 8 71 77 8 73 81 8 74 82 8 75 79 8 76 85 8 76 86 8 77 79 8 81 84 8 82 84 8 83 87 8 83 88 8 85 89 8 86 90 8 87 92 8 88 93 8 89 91 8 90 91 8 92 94 8 93 94 8 $$$$