71537612 -OEChem-05132409252D 166168 0 1 0 0 0 0 0999 V2000 15.0577 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3256 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5263 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5936 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5263 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7942 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7942 5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5936 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7897 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9237 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8615 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2583 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3256 -3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5936 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5263 3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7942 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7553 1.4181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8615 -3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1244 6.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1917 -6.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1295 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2635 -6.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9904 8.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2583 8.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0577 -8.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3256 -8.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3974 -8.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1295 -8.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1917 -3.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3923 3.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4596 -3.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3923 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4596 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1917 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0577 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 3.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3256 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2583 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5263 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3256 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6603 3.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0577 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9282 3.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2271 0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7276 -3.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3301 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5936 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2583 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2486 0.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3256 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7942 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4223 2.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6603 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9282 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7276 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8949 0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9955 -3.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9237 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9379 -0.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8615 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9955 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5842 -0.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6058 -1.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1295 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1295 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1244 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1917 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2635 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6547 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3923 3.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9227 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1803 5.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7817 4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8490 -4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2476 -5.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9796 -1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5811 -2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7953 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8626 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4082 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8067 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4704 4.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8689 5.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9362 -5.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5377 -4.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1305 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1972 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4562 -1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6592 -1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0632 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4651 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5991 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1906 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0463 6.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6477 6.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7151 -6.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1136 -6.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2945 2.7618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3312 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0497 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4482 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1389 1.4850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7162 5.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3176 4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3985 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5155 -1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1170 -2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5016 0.1448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 5.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4586 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3312 -0.5233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2076 -5.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6061 -4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9983 -1.3950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4131 -1.7291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9174 -4.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5189 -5.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5263 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1295 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6664 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3415 -6.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7401 -6.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7942 5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5936 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3267 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 4.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 7.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9904 8.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5273 7.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2583 8.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7214 7.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0577 -8.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5946 -7.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3256 -8.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7887 -7.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 7.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3974 -8.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8605 -7.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1295 -8.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6664 -7.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 42 2 0 0 0 0 2 44 2 0 0 0 0 3 47 2 0 0 0 0 4 55 2 0 0 0 0 5 56 2 0 0 0 0 6 64 1 0 0 0 0 6141 1 0 0 0 0 7 58 2 0 0 0 0 8 61 2 0 0 0 0 9 65 1 0 0 0 0 9146 1 0 0 0 0 10 66 1 0 0 0 0 10147 1 0 0 0 0 11 70 1 0 0 0 0 11150 1 0 0 0 0 12 70 2 0 0 0 0 13 72 2 0 0 0 0 14 78 1 0 0 0 0 14153 1 0 0 0 0 15 78 2 0 0 0 0 16 86 1 0 0 0 0 16162 1 0 0 0 0 37 17 1 6 0 0 0 17 42 1 0 0 0 0 17 97 1 0 0 0 0 36 18 1 1 0 0 0 18 44 1 0 0 0 0 18 98 1 0 0 0 0 38 19 1 6 0 0 0 19 56 1 0 0 0 0 19106 1 0 0 0 0 20 47 1 0 0 0 0 50 20 1 1 0 0 0 20110 1 0 0 0 0 43 21 1 1 0 0 0 21 58 1 0 0 0 0 21112 1 0 0 0 0 52 22 1 6 0 0 0 22 61 1 0 0 0 0 22119 1 0 0 0 0 23 55 1 0 0 0 0 63 23 1 6 0 0 0 23123 1 0 0 0 0 24 59 1 0 0 0 0 24 62 1 0 0 0 0 24124 1 0 0 0 0 54 25 1 1 0 0 0 25 72 1 0 0 0 0 25127 1 0 0 0 0 26 57 1 0 0 0 0 26 82 2 0 0 0 0 27 60 1 0 0 0 0 27 83 2 0 0 0 0 69 28 1 6 0 0 0 28142 1 0 0 0 0 28143 1 0 0 0 0 29 79 1 0 0 0 0 29 87 2 0 0 0 0 30 82 1 0 0 0 0 30154 1 0 0 0 0 30155 1 0 0 0 0 31 82 1 0 0 0 0 31156 1 0 0 0 0 31157 1 0 0 0 0 32 83 1 0 0 0 0 32158 1 0 0 0 0 32159 1 0 0 0 0 33 83 1 0 0 0 0 33160 1 0 0 0 0 33161 1 0 0 0 0 34 87 1 0 0 0 0 34163 1 0 0 0 0 34164 1 0 0 0 0 35 87 1 0 0 0 0 35165 1 0 0 0 0 35166 1 0 0 0 0 36 41 1 0 0 0 0 36 42 1 0 0 0 0 36 88 1 0 0 0 0 37 39 1 0 0 0 0 37 47 1 0 0 0 0 37 89 1 0 0 0 0 38 40 1 0 0 0 0 38 44 1 0 0 0 0 38 90 1 0 0 0 0 39 46 1 0 0 0 0 39 91 1 0 0 0 0 39 92 1 0 0 0 0 40 48 1 0 0 0 0 40 93 1 0 0 0 0 40 94 1 0 0 0 0 41 51 1 0 0 0 0 41 95 1 0 0 0 0 41 96 1 0 0 0 0 43 45 1 0 0 0 0 43 55 1 0 0 0 0 43 99 1 0 0 0 0 45 49 1 0 0 0 0 45100 1 0 0 0 0 45101 1 0 0 0 0 46 57 1 0 0 0 0 46102 1 0 0 0 0 46103 1 0 0 0 0 48 60 1 0 0 0 0 48104 1 0 0 0 0 48105 1 0 0 0 0 49 53 1 0 0 0 0 49 62 2 0 0 0 0 50 61 1 0 0 0 0 50 64 1 0 0 0 0 50107 1 0 0 0 0 51 70 1 0 0 0 0 51108 1 0 0 0 0 51109 1 0 0 0 0 52 58 1 0 0 0 0 52 65 1 0 0 0 0 52111 1 0 0 0 0 53 59 1 0 0 0 0 53 67 2 0 0 0 0 54 56 1 0 0 0 0 54 66 1 0 0 0 0 54113 1 0 0 0 0 57114 1 0 0 0 0 57115 1 0 0 0 0 59 71 2 0 0 0 0 60116 1 0 0 0 0 60117 1 0 0 0 0 62118 1 0 0 0 0 63 68 1 0 0 0 0 63 78 1 0 0 0 0 63120 1 0 0 0 0 64121 1 0 0 0 0 64122 1 0 0 0 0 65125 1 0 0 0 0 65126 1 0 0 0 0 66128 1 0 0 0 0 66129 1 0 0 0 0 67 74 1 0 0 0 0 67130 1 0 0 0 0 68 77 1 0 0 0 0 68131 1 0 0 0 0 68132 1 0 0 0 0 69 72 1 0 0 0 0 69 73 1 0 0 0 0 69133 1 0 0 0 0 71 75 1 0 0 0 0 71134 1 0 0 0 0 73 76 1 0 0 0 0 73135 1 0 0 0 0 73136 1 0 0 0 0 74 75 2 0 0 0 0 74137 1 0 0 0 0 75138 1 0 0 0 0 76 79 1 0 0 0 0 76139 1 0 0 0 0 76140 1 0 0 0 0 77 80 2 0 0 0 0 77 81 1 0 0 0 0 79144 1 0 0 0 0 79145 1 0 0 0 0 80 84 1 0 0 0 0 80148 1 0 0 0 0 81 85 2 0 0 0 0 81149 1 0 0 0 0 84 86 2 0 0 0 0 84151 1 0 0 0 0 85 86 1 0 0 0 0 85152 1 0 0 0 0 M END > 71537612 > 1 > 2380 > 20 > 22 > 39 > AAADcfB//gAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgAQCAAADCzhngY9zvLJkgCoAzX3fACCgCExIiAI2aG+bJgKdvbCkbOUcAhm9hHY2Ae83+KOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-5-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-5-oxo-pentanoic acid > (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid > (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid > (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid > (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid > (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-5-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-2-keto-1-methylol-ethyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-4-guanidino-butyl]amino]-5-keto-valeric acid > InChI=1S/C52H79N19O16/c53-30(7-3-17-60-50(54)55)41(78)69-37(23-72)46(83)65-32(9-4-18-61-51(56)57)42(79)66-34(15-16-40(76)77)44(81)64-33(10-5-19-62-52(58)59)43(80)70-39(25-74)48(85)71-38(24-73)47(84)67-35(21-27-22-63-31-8-2-1-6-29(27)31)45(82)68-36(49(86)87)20-26-11-13-28(75)14-12-26/h1-2,6,8,11-14,22,30,32-39,63,72-75H,3-5,7,9-10,15-21,23-25,53H2,(H,64,81)(H,65,83)(H,66,79)(H,67,84)(H,68,82)(H,69,78)(H,70,80)(H,71,85)(H,76,77)(H,86,87)(H4,54,55,60)(H4,56,57,61)(H4,58,59,62)/t30-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 > VPQOLOXYJFSWPX-IVRGULMJSA-N > -10.2 > 1225.59521751 > C52H79N19O16 > 1226.3 > C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)N > C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)N > 623 > 1225.59521751 > 0 > 87 > 9 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 37 17 6 36 18 5 38 19 6 50 20 5 43 21 5 52 22 6 63 23 6 24 59 8 24 62 8 54 25 5 69 28 6 49 53 8 49 62 8 53 59 8 53 67 8 59 71 8 67 74 8 71 75 8 74 75 8 77 80 8 77 81 8 80 84 8 81 85 8 84 86 8 85 86 8 $$$$