70674030 -OEChem-05142414222D 175180 0 1 0 0 0 0 0999 V2000 10.7591 5.7022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2268 4.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3669 -4.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0591 1.9532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7613 -4.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5857 4.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0726 -3.5339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2702 -1.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0023 -3.7311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8973 6.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8485 0.8561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 2.9258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5705 4.9993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7654 -8.8957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5510 8.3393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6161 4.4784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6700 4.4784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4426 0.6816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1430 -3.8757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4131 2.5846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5248 -4.3112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9016 -0.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3746 -2.8681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2849 6.5314 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1024 -6.1050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4224 -6.0985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7478 -0.8731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6430 4.7090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5269 5.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6087 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6430 4.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5097 4.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2757 3.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9114 -2.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0760 -3.4176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8729 2.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5977 -2.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0103 3.3868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0977 -1.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2690 1.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9581 5.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3845 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7764 4.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4926 7.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8066 5.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1498 -3.7596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9192 -4.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2829 4.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1363 -3.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8434 0.6816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6465 -5.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0171 1.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2101 -3.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9429 5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6884 -2.1407 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8451 0.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3249 3.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5188 -6.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5231 -4.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1884 -1.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9719 -5.2630 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6233 -5.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4234 -6.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2956 -0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2697 6.7050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8862 -2.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9702 -5.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6973 -6.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5976 4.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0943 2.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6117 7.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5065 -7.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4190 -6.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7804 -7.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2973 -0.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6850 -8.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6396 4.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1363 2.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9125 5.9390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5966 7.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4090 3.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4173 -6.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8695 -7.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9386 8.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2393 7.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8661 -7.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3183 -7.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3166 -8.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9234 8.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2241 7.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5662 8.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1352 5.0646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1459 5.6662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6699 6.3055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0394 6.3439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0741 4.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1690 3.5116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8841 3.5062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8248 2.9613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4579 5.0610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9953 -3.4824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5129 -2.3931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6748 -3.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4924 2.5606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3360 2.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8210 -2.7191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1004 -1.7705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3927 3.3327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4484 -1.7860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5284 -1.0291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8663 1.5002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6750 1.4886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9581 6.0380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3475 5.5257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8436 -0.7333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7739 -0.2090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1084 7.1635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4206 7.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8768 7.0196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4364 5.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3093 5.1309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1768 5.0038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5054 -4.2675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0616 0.7177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3499 -4.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5785 -5.2506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7802 4.4432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0047 4.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1430 -4.4957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 0.2432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8762 2.8946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1841 -4.8292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6343 -2.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9881 1.3430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2758 0.9853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2910 -0.4243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9761 -3.3430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3529 -5.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8876 -4.6732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8864 7.0063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1526 -0.6990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8649 -0.3413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8712 7.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6080 -2.1838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2923 -2.9157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7176 -6.1820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5641 -5.1433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8982 -4.7053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1365 -6.7106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7406 5.0757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5453 2.3877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6117 8.2647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0012 7.7524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0673 -8.0919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7006 -6.6525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8034 -6.0624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2711 -8.3250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7365 -9.0157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1886 4.6111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 1.9231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5050 -4.1013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7580 -5.7549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2505 -7.0142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5400 9.2330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0273 6.4697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1288 -0.8370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 -1.4271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4850 -7.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9776 -8.4619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2958 5.6377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1354 9.5143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6227 6.7510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3843 -8.9317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7630 8.9219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 2 0 0 0 0 2 43 2 0 0 0 0 3 49 2 0 0 0 0 4 52 2 0 0 0 0 5 53 2 0 0 0 0 6 54 2 0 0 0 0 7 59 2 0 0 0 0 8 60 2 0 0 0 0 9 66 1 0 0 0 0 9161 1 0 0 0 0 10 79 1 0 0 0 0 10170 1 0 0 0 0 11 75 2 0 0 0 0 12 81 1 0 0 0 0 12173 1 0 0 0 0 13 79 2 0 0 0 0 14 88 1 0 0 0 0 14174 1 0 0 0 0 15 91 1 0 0 0 0 15175 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 41 1 0 0 0 0 17 28 1 0 0 0 0 17 43 1 0 0 0 0 17100 1 0 0 0 0 18 40 1 0 0 0 0 18 42 1 0 0 0 0 18124 1 0 0 0 0 19 46 1 0 0 0 0 19 49 1 0 0 0 0 19129 1 0 0 0 0 20 38 1 0 0 0 0 20 52 1 0 0 0 0 20131 1 0 0 0 0 35 21 1 6 0 0 0 21 59 1 0 0 0 0 21132 1 0 0 0 0 22 50 1 0 0 0 0 22 60 1 0 0 0 0 22136 1 0 0 0 0 23 53 1 0 0 0 0 23 55 1 0 0 0 0 23137 1 0 0 0 0 24 54 1 0 0 0 0 65 24 1 1 0 0 0 24140 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 25146 1 0 0 0 0 61 26 1 6 0 0 0 26155 1 0 0 0 0 26156 1 0 0 0 0 27 75 1 0 0 0 0 27166 1 0 0 0 0 27167 1 0 0 0 0 28 29 1 1 0 0 0 28 31 1 0 0 0 0 28 92 1 0 0 0 0 29 30 1 0 0 0 0 29 93 1 0 0 0 0 29 94 1 0 0 0 0 30 44 1 0 0 0 0 30 45 1 0 0 0 0 30 95 1 0 0 0 0 32 33 1 0 0 0 0 32 96 1 0 0 0 0 32 97 1 0 0 0 0 33 36 1 0 0 0 0 33 98 1 0 0 0 0 33 99 1 0 0 0 0 34 35 1 0 0 0 0 34 37 1 0 0 0 0 34101 1 0 0 0 0 34102 1 0 0 0 0 35 49 1 0 0 0 0 35103 1 0 0 0 0 36 40 1 0 0 0 0 36104 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 43 1 0 0 0 0 38 48 1 1 0 0 0 38108 1 0 0 0 0 39 42 1 0 0 0 0 39109 1 0 0 0 0 39110 1 0 0 0 0 40111 1 0 0 0 0 40112 1 0 0 0 0 41 54 1 0 0 0 0 41113 1 0 0 0 0 41114 1 0 0 0 0 42115 1 0 0 0 0 42116 1 0 0 0 0 44117 1 0 0 0 0 44118 1 0 0 0 0 44119 1 0 0 0 0 45120 1 0 0 0 0 45121 1 0 0 0 0 45122 1 0 0 0 0 46 47 1 1 0 0 0 46 53 1 0 0 0 0 46123 1 0 0 0 0 47 51 1 0 0 0 0 47125 1 0 0 0 0 47126 1 0 0 0 0 48 57 1 0 0 0 0 48127 1 0 0 0 0 48128 1 0 0 0 0 50 52 1 0 0 0 0 50 56 1 1 0 0 0 50130 1 0 0 0 0 51 58 1 0 0 0 0 51 62 2 0 0 0 0 55 60 1 0 0 0 0 55 66 1 1 0 0 0 55133 1 0 0 0 0 56 64 1 0 0 0 0 56134 1 0 0 0 0 56135 1 0 0 0 0 57 69 2 0 0 0 0 57 70 1 0 0 0 0 58 63 1 0 0 0 0 58 68 2 0 0 0 0 59 61 1 0 0 0 0 61 67 1 0 0 0 0 61138 1 0 0 0 0 62139 1 0 0 0 0 63 72 2 0 0 0 0 64 75 1 0 0 0 0 64141 1 0 0 0 0 64142 1 0 0 0 0 65 71 1 0 0 0 0 65 79 1 0 0 0 0 65143 1 0 0 0 0 66144 1 0 0 0 0 66145 1 0 0 0 0 67 73 1 0 0 0 0 67147 1 0 0 0 0 67148 1 0 0 0 0 68 74 1 0 0 0 0 68149 1 0 0 0 0 69 77 1 0 0 0 0 69150 1 0 0 0 0 70 78 2 0 0 0 0 70151 1 0 0 0 0 71 80 1 0 0 0 0 71152 1 0 0 0 0 71153 1 0 0 0 0 72 76 1 0 0 0 0 72154 1 0 0 0 0 73 82 2 0 0 0 0 73 83 1 0 0 0 0 74 76 2 0 0 0 0 74157 1 0 0 0 0 76158 1 0 0 0 0 77 81 2 0 0 0 0 77159 1 0 0 0 0 78 81 1 0 0 0 0 78160 1 0 0 0 0 80 84 2 0 0 0 0 80 85 1 0 0 0 0 82 86 1 0 0 0 0 82162 1 0 0 0 0 83 87 2 0 0 0 0 83163 1 0 0 0 0 84 89 1 0 0 0 0 84164 1 0 0 0 0 85 90 2 0 0 0 0 85165 1 0 0 0 0 86 88 2 0 0 0 0 86168 1 0 0 0 0 87 88 1 0 0 0 0 87169 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 M END > 70674030 > 1 > 2380 > 17 > 16 > 20 > AAADcfB//AAAAAAAAAAAAAAAAAAAAWAAAAAwYMGAAAAAAFgB9AAAHgAQCAAADSzhngY+zvPJkgCoAzX3XACCgCAxIiAI2aG+bJgKdvbCkbOUcAhm9hHY2Aecy+COoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > (2S)-2-[[2-[(2S,5S,8S,11S,14S,26S)-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)-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)-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-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)-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-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/C64H84N12O15/c1-37(2)29-52-63(89)76(35-56(82)69-53(64(90)91)32-40-16-22-44(80)23-17-40)28-8-7-27-67-26-6-5-11-48(70-57(83)46(65)30-38-12-18-42(78)19-13-38)58(84)73-51(33-41-34-68-47-10-4-3-9-45(41)47)61(87)75-54(36-77)62(88)71-49(24-25-55(66)81)59(85)72-50(60(86)74-52)31-39-14-20-43(79)21-15-39/h3-4,9-10,12-23,34,37,46,48-54,67-68,77-80H,5-8,11,24-33,35-36,65H2,1-2H3,(H2,66,81)(H,69,82)(H,70,83)(H,71,88)(H,72,85)(H,73,84)(H,74,86)(H,75,87)(H,90,91)/t46-,48-,49-,50-,51-,52-,53-,54-/m0/s1 > YOZVZWNNXYRVSK-QSIKZWPQSA-N > 0.6 > 1260.61791002 > C64H84N12O15 > 1261.4 > 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)N)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)N)CC(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)O > 439 > 1260.61791002 > 0 > 91 > 8 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 35 21 6 65 24 5 25 62 8 25 63 8 61 26 6 28 29 5 38 48 5 46 47 5 50 56 5 51 58 8 51 62 8 55 66 5 57 69 8 57 70 8 58 63 8 58 68 8 63 72 8 68 74 8 69 77 8 70 78 8 72 76 8 73 82 8 73 83 8 74 76 8 77 81 8 78 81 8 80 84 8 80 85 8 82 86 8 83 87 8 84 89 8 85 90 8 86 88 8 87 88 8 89 91 8 90 91 8 $$$$