70674252 -OEChem-04252401222D 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 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 7.3301 4.8231 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 11.1070 -6.4403 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 4.5981 2.3231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6099 4.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6239 3.9125 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 8.5506 -0.0783 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 17.0335 -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 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 19.2952 4.4245 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 8.6661 1.9048 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 16.5219 2.8231 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 15.9248 3.6252 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 15.1587 4.2680 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 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 8.1962 3.3231 0.0000 C 0 0 0 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 8.8374 -1.0363 0.0000 C 0 0 0 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 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 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 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 7.3301 3.8231 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 18.1066 3.1647 0.0000 C 0 0 0 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 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 19.7920 2.7652 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 5.4641 3.8231 0.0000 C 0 0 1 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 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 5.4641 4.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 3.0520 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 20.8305 -2.1314 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 3.3231 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 18.5679 5.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4774 2.3658 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 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 22.4353 2.6526 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 18.7985 6.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6660 3.6257 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 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 17.1800 2.4668 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 7.9400 -0.1859 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 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 9.2834 -2.5199 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 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 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 13.3640 5.5632 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 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 17.6441 -0.1859 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 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 18.6136 3.8770 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 17.9482 0.5165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2947 2.3950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0702 2.2112 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 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 6.0010 4.1331 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 19.5783 1.0719 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 19.8892 4.6024 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 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 21.3462 0.0998 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 21.3344 1.7625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5296 4.4506 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 22.8863 2.2271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0816 4.9152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4018 5.9408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9415 6.6871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1952 6.2268 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 23.7669 4.5158 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 32 2 0 0 0 0 2 45 2 0 0 0 0 3 48 2 0 0 0 0 4 53 2 0 0 0 0 5 54 2 0 0 0 0 6 56 2 0 0 0 0 7 59 2 0 0 0 0 8 62 2 0 0 0 0 9 68 1 0 0 0 0 9165 1 0 0 0 0 10 80 1 0 0 0 0 10175 1 0 0 0 0 11 77 2 0 0 0 0 12 82 1 0 0 0 0 12178 1 0 0 0 0 13 80 2 0 0 0 0 14 83 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 33 1 0 0 0 0 17 43 1 0 0 0 0 18 29 1 0 0 0 0 18 45 1 0 0 0 0 18108 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19127 1 0 0 0 0 20 44 1 0 0 0 0 20 48 1 0 0 0 0 20132 1 0 0 0 0 36 21 1 6 0 0 0 21 59 1 0 0 0 0 21133 1 0 0 0 0 22 40 1 0 0 0 0 22 54 1 0 0 0 0 22135 1 0 0 0 0 23 53 1 0 0 0 0 23 55 1 0 0 0 0 23140 1 0 0 0 0 24 51 1 0 0 0 0 24 62 1 0 0 0 0 24141 1 0 0 0 0 25 56 1 0 0 0 0 67 25 1 6 0 0 0 25145 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 26151 1 0 0 0 0 58 27 1 1 0 0 0 27 83 1 0 0 0 0 27153 1 0 0 0 0 28 77 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 32 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 46 1 0 0 0 0 31 47 1 0 0 0 0 31 98 1 0 0 0 0 33 34 1 0 0 0 0 33 99 1 0 0 0 0 33100 1 0 0 0 0 34 38 1 0 0 0 0 34101 1 0 0 0 0 34102 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35103 1 0 0 0 0 35104 1 0 0 0 0 36 48 1 0 0 0 0 36105 1 0 0 0 0 37 39 1 0 0 0 0 37106 1 0 0 0 0 37107 1 0 0 0 0 38 41 1 0 0 0 0 38109 1 0 0 0 0 38110 1 0 0 0 0 39 42 1 0 0 0 0 39111 1 0 0 0 0 39112 1 0 0 0 0 40 45 1 0 0 0 0 40 50 1 1 0 0 0 40113 1 0 0 0 0 41114 1 0 0 0 0 41115 1 0 0 0 0 42116 1 0 0 0 0 42117 1 0 0 0 0 43 56 1 0 0 0 0 43118 1 0 0 0 0 43119 1 0 0 0 0 44 49 1 1 0 0 0 44 53 1 0 0 0 0 44120 1 0 0 0 0 46121 1 0 0 0 0 46122 1 0 0 0 0 46123 1 0 0 0 0 47124 1 0 0 0 0 47125 1 0 0 0 0 47126 1 0 0 0 0 49 52 1 0 0 0 0 49128 1 0 0 0 0 49129 1 0 0 0 0 50 61 1 0 0 0 0 50130 1 0 0 0 0 50131 1 0 0 0 0 51 54 1 0 0 0 0 51 57 1 1 0 0 0 51134 1 0 0 0 0 52 60 1 0 0 0 0 52 63 2 0 0 0 0 55 62 1 0 0 0 0 55 68 1 1 0 0 0 55136 1 0 0 0 0 57 66 1 0 0 0 0 57137 1 0 0 0 0 57138 1 0 0 0 0 58 59 1 0 0 0 0 58 65 1 0 0 0 0 58139 1 0 0 0 0 60 64 1 0 0 0 0 60 69 2 0 0 0 0 61 70 2 0 0 0 0 61 71 1 0 0 0 0 63142 1 0 0 0 0 64 74 2 0 0 0 0 65 73 1 0 0 0 0 65143 1 0 0 0 0 65144 1 0 0 0 0 66 77 1 0 0 0 0 66146 1 0 0 0 0 66147 1 0 0 0 0 67 72 1 0 0 0 0 67 80 1 0 0 0 0 67148 1 0 0 0 0 68149 1 0 0 0 0 68150 1 0 0 0 0 69 75 1 0 0 0 0 69152 1 0 0 0 0 70 78 1 0 0 0 0 70154 1 0 0 0 0 71 79 2 0 0 0 0 71155 1 0 0 0 0 72 81 1 0 0 0 0 72156 1 0 0 0 0 72157 1 0 0 0 0 73 84 2 0 0 0 0 73 85 1 0 0 0 0 74 76 1 0 0 0 0 74158 1 0 0 0 0 75 76 2 0 0 0 0 75159 1 0 0 0 0 76160 1 0 0 0 0 78 82 2 0 0 0 0 78161 1 0 0 0 0 79 82 1 0 0 0 0 79162 1 0 0 0 0 81 86 2 0 0 0 0 81 87 1 0 0 0 0 83 90 1 0 0 0 0 84 88 1 0 0 0 0 84163 1 0 0 0 0 85 89 2 0 0 0 0 85164 1 0 0 0 0 86 92 1 0 0 0 0 86166 1 0 0 0 0 87 93 2 0 0 0 0 87167 1 0 0 0 0 88 91 2 0 0 0 0 88168 1 0 0 0 0 89 91 1 0 0 0 0 89169 1 0 0 0 0 90170 1 0 0 0 0 90171 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 > 70674252 > 1 > 2510 > 17 > 16 > 21 > AAADcfB//gAAAAAAAAAAAAAAAAAAAWAAAAAwYMGAAAAAAFgB9AAAHgAQCAAADSzhngY+zvPJkgCoAzX3XACCgCAxIiAI2aG+bJgKdvbCkbOUcAhm9hHY2Aecy+COoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > (2S)-2-[[2-[(2S,5S,8S,11S,14S,26S)-26-[[(2S)-2-acetamido-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)-26-[[(2S)-2-acetamido-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)-26-[[(2S)-2-acetamido-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-acetamido-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-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-8-(3-azanyl-3-oxidanylidene-propyl)-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)-26-[[(2S)-2-acetamido-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)71-55(66(93)94)33-42-17-23-46(83)24-18-42)29-9-8-28-68-27-7-6-12-49(72-61(88)51(70-39(3)80)31-40-13-19-44(81)20-14-40)59(86)75-53(34-43-35-69-48-11-5-4-10-47(43)48)63(90)77-56(37-79)64(91)73-50(25-26-57(67)84)60(87)74-52(62(89)76-54)32-41-15-21-45(82)22-16-41/h4-5,10-11,13-24,35,38,49-56,68-69,79,81-83H,6-9,12,25-34,36-37H2,1-3H3,(H2,67,84)(H,70,80)(H,71,85)(H,72,88)(H,73,91)(H,74,87)(H,75,86)(H,76,89)(H,77,90)(H,93,94)/t49-,50-,51-,52-,53-,54-,55-,56-/m0/s1 > CKINEFIHIDVRSD-MENCHSDRSA-N > 0.9 > 1302.62847470 > C66H86N12O16 > 1303.5 > CC(C)CC1C(=O)N(CCCCNCCCCC(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)NC(=O)C)CC(=O)NC(CC6=CC=C(C=C6)O)C(=O)O > CC(C)C[C@H]1C(=O)N(CCCCNCCCC[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)NC(=O)C)CC(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)O > 442 > 1302.62847470 > 0 > 94 > 8 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 36 21 6 67 25 6 26 63 8 26 64 8 58 27 5 29 30 5 40 50 5 44 49 5 51 57 5 52 60 8 52 63 8 55 68 5 60 64 8 60 69 8 61 70 8 61 71 8 64 74 8 69 75 8 70 78 8 71 79 8 73 84 8 73 85 8 74 76 8 75 76 8 78 82 8 79 82 8 81 86 8 81 87 8 84 88 8 85 89 8 86 92 8 87 93 8 88 91 8 89 91 8 92 94 8 93 94 8 $$$$