5311311 -OEChem-05231321192D 159160 0 1 0 0 0 0 0999 V2000 3.4030 9.4547 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -2.5453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -3.5453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 7.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -2.5453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.4547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -7.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.4547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -2.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -2.5453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 5.4547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 1.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.4547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.9547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -3.5453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.4547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -5.5453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.0453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.4547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 6.4547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -1.0453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.5453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 -6.5453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -8.5453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8280 -9.5398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 6.9547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.3061 -8.8817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.9547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 6.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 6.4547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 2.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -5.0453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 7.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -5.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -6.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -2.5453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 -0.5453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1254 -4.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -7.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -2.0453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 0.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 6.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 8.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 8.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -0.5453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3933 -2.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.0453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 6.9547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 3.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -6.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -7.0453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0632 -0.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -8.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -1.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -1.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 7.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -8.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 6.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 8.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 -8.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 0.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6370 -8.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8061 -9.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 9.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 1.6447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 6.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 7.0624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.1447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -5.6653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 2.7647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 7.6447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0473 -4.9627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6488 -5.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4714 -7.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8699 -6.4376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -2.8553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -0.2353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.6447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1813 -6.4627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7828 -7.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -3.8553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -2.6653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.1447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5284 -5.2353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 -0.4627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8546 -1.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9512 3.4547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 4.0747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7112 3.4547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8872 1.4178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 1.6447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5072 2.4916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 8.9916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 8.7647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 7.9178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9091 7.9178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 8.7647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2891 8.9916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -1.1653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.6653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.4253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 6.3347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 4.0624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 3.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 3.7647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.8347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 -0.7353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3944 -7.3553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6054 -8.6279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0039 -7.9376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.0747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7454 -1.0453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -0.4253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5054 -1.0453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 7.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 8.5373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3153 1.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9167 0.3470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2469 -7.9376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6454 -8.6279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3187 -1.9376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7172 -2.6279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 8.5624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 7.8721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5284 -2.2353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.2353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -2.2353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2604 -6.8553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 -5.9253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -9.1653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -8.2353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.8553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -3.8553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3672 -9.9547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.6653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7659 -7.5321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -3.1653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.6447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 7.5747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0583 -10.3141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 2.2647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 10.4916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 10.2647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 9.4178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 69 1 0 0 0 0 1 79 1 0 0 0 0 43 2 1 1 0 0 0 2140 1 0 0 0 0 3 40 2 0 0 0 0 4 41 2 0 0 0 0 5 44 2 0 0 0 0 6 45 2 0 0 0 0 7 52 2 0 0 0 0 8 56 2 0 0 0 0 9 57 2 0 0 0 0 10 59 2 0 0 0 0 11 62 2 0 0 0 0 12 67 1 0 0 0 0 12152 1 0 0 0 0 13 68 2 0 0 0 0 14 73 1 0 0 0 0 14156 1 0 0 0 0 15 73 2 0 0 0 0 30 16 1 6 0 0 0 16 44 1 0 0 0 0 16 93 1 0 0 0 0 38 17 1 6 0 0 0 17 40 1 0 0 0 0 17 96 1 0 0 0 0 32 18 1 6 0 0 0 18 56 1 0 0 0 0 18 98 1 0 0 0 0 34 19 1 1 0 0 0 19 57 1 0 0 0 0 19 99 1 0 0 0 0 39 20 1 1 0 0 0 20 59 1 0 0 0 0 20115 1 0 0 0 0 21 41 1 0 0 0 0 21 55 1 0 0 0 0 21120 1 0 0 0 0 22 45 1 0 0 0 0 54 22 1 6 0 0 0 22121 1 0 0 0 0 51 23 1 6 0 0 0 23 52 1 0 0 0 0 23122 1 0 0 0 0 53 24 1 1 0 0 0 24 62 1 0 0 0 0 24126 1 0 0 0 0 58 25 1 1 0 0 0 25143 1 0 0 0 0 25144 1 0 0 0 0 26 60 1 0 0 0 0 26145 1 0 0 0 0 26146 1 0 0 0 0 27 72 1 0 0 0 0 27 78 1 0 0 0 0 27149 1 0 0 0 0 28 68 1 0 0 0 0 28153 1 0 0 0 0 28154 1 0 0 0 0 29 77 1 0 0 0 0 29 78 2 0 0 0 0 30 33 1 0 0 0 0 30 41 1 0 0 0 0 30 80 1 0 0 0 0 31 32 1 0 0 0 0 31 35 1 0 0 0 0 31 81 1 0 0 0 0 31 82 1 0 0 0 0 32 45 1 0 0 0 0 32 83 1 0 0 0 0 33 47 1 0 0 0 0 33 48 1 0 0 0 0 33 85 1 0 0 0 0 34 36 1 0 0 0 0 34 40 1 0 0 0 0 34 84 1 0 0 0 0 35 49 1 0 0 0 0 35 50 1 0 0 0 0 35 86 1 0 0 0 0 36 37 1 0 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 37 42 1 0 0 0 0 37 89 1 0 0 0 0 37 90 1 0 0 0 0 38 43 1 0 0 0 0 38 52 1 0 0 0 0 38 91 1 0 0 0 0 39 44 1 0 0 0 0 39 46 1 0 0 0 0 39 92 1 0 0 0 0 42 60 1 0 0 0 0 42 94 1 0 0 0 0 42 95 1 0 0 0 0 43 63 1 0 0 0 0 43 97 1 0 0 0 0 46 61 1 0 0 0 0 46100 1 0 0 0 0 46101 1 0 0 0 0 47102 1 0 0 0 0 47103 1 0 0 0 0 47104 1 0 0 0 0 48105 1 0 0 0 0 48106 1 0 0 0 0 48107 1 0 0 0 0 49111 1 0 0 0 0 49112 1 0 0 0 0 49113 1 0 0 0 0 50108 1 0 0 0 0 50109 1 0 0 0 0 50110 1 0 0 0 0 51 62 1 0 0 0 0 51 65 1 0 0 0 0 51114 1 0 0 0 0 53 59 1 0 0 0 0 53 67 1 0 0 0 0 53116 1 0 0 0 0 54 64 1 0 0 0 0 54 68 1 0 0 0 0 54117 1 0 0 0 0 55 56 1 0 0 0 0 55118 1 0 0 0 0 55119 1 0 0 0 0 57 58 1 0 0 0 0 58 66 1 0 0 0 0 58123 1 0 0 0 0 60124 1 0 0 0 0 60125 1 0 0 0 0 61 70 2 0 0 0 0 61 71 1 0 0 0 0 63127 1 0 0 0 0 63128 1 0 0 0 0 63129 1 0 0 0 0 64 69 1 0 0 0 0 64130 1 0 0 0 0 64131 1 0 0 0 0 65 73 1 0 0 0 0 65132 1 0 0 0 0 65133 1 0 0 0 0 66 72 1 0 0 0 0 66134 1 0 0 0 0 66135 1 0 0 0 0 67136 1 0 0 0 0 67137 1 0 0 0 0 69138 1 0 0 0 0 69139 1 0 0 0 0 70 74 1 0 0 0 0 70141 1 0 0 0 0 71 75 2 0 0 0 0 71142 1 0 0 0 0 72 77 2 0 0 0 0 74 76 2 0 0 0 0 74147 1 0 0 0 0 75 76 1 0 0 0 0 75148 1 0 0 0 0 76150 1 0 0 0 0 77151 1 0 0 0 0 78155 1 0 0 0 0 79157 1 0 0 0 0 79158 1 0 0 0 0 79159 1 0 0 0 0 M END > 5311311 > 1 > 2030 > 18 > 16 > 37 > AAADcfB//ABAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgQQCAAADTzl3ga/mJbJkgioAzX3fAACgC2xErAJ2YG4cIiKeD7g2TGUYAAutgLYyCc/iYCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (3S)-3-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-4-[[(1S)-2-[[(1S)-1-benzyl-2-[[(1S)-1-[[2-[[(1S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid > (3S)-3-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid > (3S)-3-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid > (3S)-3-[[(2S,3R)-2-[[(2S)-6-azanyl-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid > (3S)-3-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-4-[[(1S)-2-[[(1S)-1-benzyl-2-[[(1S)-1-[[2-[[(1S)-1-[[(1S)-1-carbamoyl-3-(methylthio)propyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-ethyl]carbamoyl]-2-methyl-propyl]amino]-2-keto-ethyl]amino]-2-keto-1-methylol-ethyl]amino]-4-keto-butyric acid > InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)/t28-,31+,32+,33+,34+,35+,36+,37+,40+,41+/m1/s1 > HEAUFJZALFKPBA-JPQUDPSNSA-N > -4.8 > 1132.569914 > C50H80N14O14S > 1133.3206 > CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CN=CN2)N > C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CN=CN2)N)O > 489 > 1132.569914 > 0 > 79 > 10 > 0 > 0 > 0 > 0 > 1 > 1001 > 1 5 255 > 30 16 6 38 17 6 32 18 6 34 19 5 43 2 5 39 20 5 54 22 6 51 23 6 53 24 5 58 25 5 27 72 8 27 78 8 29 77 8 29 78 8 61 70 8 61 71 8 70 74 8 71 75 8 72 77 8 74 76 8 75 76 8 $$$$