44582412 -OEChem-05082413292D 147150 0 1 0 0 0 0 0999 V2000 14.1923 1.1377 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.9244 1.1377 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.1923 4.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 -1.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5942 3.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9244 1.6377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0583 -4.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4603 1.6377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -1.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9244 -2.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6564 4.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6564 1.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2545 1.6377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1923 2.6377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9244 3.1377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1923 -1.8623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 0.1377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6564 2.6377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.3623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.3885 3.1377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.1377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9865 2.6377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.3623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9865 4.6377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.6377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0583 2.6377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3263 -0.3623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3263 3.1377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0583 1.6377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3263 4.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1923 -2.8623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1923 3.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1923 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 -3.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9244 2.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4603 4.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1923 4.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0583 2.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7904 3.1377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7904 3.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4603 2.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 -4.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 -2.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0583 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0583 -3.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 0.1377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4603 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7904 4.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9244 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6564 3.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5224 2.6377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9962 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.3623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5224 1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2545 2.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1205 3.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1205 4.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8526 3.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8526 4.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7465 2.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7465 4.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6526 3.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6526 4.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5953 2.3277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7894 -0.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3263 2.5177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5214 1.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8632 3.8277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7292 -2.5523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4044 -0.4449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8029 0.2453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7894 -3.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7703 5.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9233 4.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1503 4.1007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5023 4.1007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7292 4.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8823 5.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7483 1.6007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5953 1.8277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3683 2.6746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7904 2.5177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1004 3.1007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3273 3.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4804 4.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7063 -4.3623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 -4.9823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9463 -4.3623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7703 -2.3254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9233 -2.5523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1503 -3.3993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3683 -1.8993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5953 -1.0523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7483 -0.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -0.4823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0803 1.1377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 1.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8403 1.1377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4104 4.1377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7904 4.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1704 4.1377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1933 2.3277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3044 0.1377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9244 -0.4823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5444 0.1377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3482 1.1377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 1.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1082 1.1377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.9823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0573 2.8277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5953 -4.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5224 3.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 -0.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7345 1.0551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1330 1.7453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3422 -1.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7407 -1.2547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3885 3.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6564 0.5177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.4823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5836 4.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 1.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7393 1.9830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -1.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7393 5.2923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 2.2923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1883 2.8048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1883 4.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.1952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32 1 1 1 0 0 0 1 36 1 0 0 0 0 2 32 1 0 0 0 0 2 54 1 0 0 0 0 3 35 2 0 0 0 0 4 38 2 0 0 0 0 5 45 1 0 0 0 0 5126 1 0 0 0 0 6 39 2 0 0 0 0 7 50 1 0 0 0 0 7127 1 0 0 0 0 8 45 2 0 0 0 0 9 46 2 0 0 0 0 10 50 2 0 0 0 0 11 56 2 0 0 0 0 12 58 2 0 0 0 0 13 60 1 0 0 0 0 13136 1 0 0 0 0 14 61 1 0 0 0 0 14137 1 0 0 0 0 15 62 2 0 0 0 0 16 63 2 0 0 0 0 31 17 1 6 0 0 0 17 35 1 0 0 0 0 17 42 1 0 0 0 0 29 18 1 1 0 0 0 18 39 1 0 0 0 0 18 44 1 0 0 0 0 34 19 1 6 0 0 0 19 38 1 0 0 0 0 19 49 1 0 0 0 0 30 20 1 1 0 0 0 20 46 1 0 0 0 0 20 52 1 0 0 0 0 43 21 1 6 0 0 0 21 56 1 0 0 0 0 21118 1 0 0 0 0 51 22 1 1 0 0 0 22 58 1 0 0 0 0 22125 1 0 0 0 0 57 23 1 6 0 0 0 23 62 1 0 0 0 0 23134 1 0 0 0 0 59 24 1 1 0 0 0 24 63 1 0 0 0 0 24135 1 0 0 0 0 25 64 2 0 0 0 0 25 68 1 0 0 0 0 26 65 2 0 0 0 0 26 69 1 0 0 0 0 27 66 2 0 0 0 0 27 70 1 0 0 0 0 28 67 2 0 0 0 0 28 71 1 0 0 0 0 29 32 1 0 0 0 0 29 35 1 0 0 0 0 29 80 1 0 0 0 0 30 36 1 0 0 0 0 30 38 1 0 0 0 0 30 81 1 0 0 0 0 31 33 1 0 0 0 0 31 45 1 0 0 0 0 31 82 1 0 0 0 0 32 83 1 0 0 0 0 33 40 1 0 0 0 0 33 41 1 0 0 0 0 33 84 1 0 0 0 0 34 37 1 0 0 0 0 34 50 1 0 0 0 0 34 85 1 0 0 0 0 36 86 1 0 0 0 0 36 87 1 0 0 0 0 37 47 1 0 0 0 0 37 48 1 0 0 0 0 37 88 1 0 0 0 0 39 43 1 0 0 0 0 40 89 1 0 0 0 0 40 90 1 0 0 0 0 40 91 1 0 0 0 0 41 92 1 0 0 0 0 41 93 1 0 0 0 0 41 94 1 0 0 0 0 42 95 1 0 0 0 0 42 96 1 0 0 0 0 42 97 1 0 0 0 0 43 53 1 0 0 0 0 43 98 1 0 0 0 0 44 99 1 0 0 0 0 44100 1 0 0 0 0 44101 1 0 0 0 0 46 51 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 49108 1 0 0 0 0 49109 1 0 0 0 0 49110 1 0 0 0 0 51 55 1 0 0 0 0 51111 1 0 0 0 0 52112 1 0 0 0 0 52113 1 0 0 0 0 52114 1 0 0 0 0 53115 1 0 0 0 0 53116 1 0 0 0 0 53117 1 0 0 0 0 54119 1 0 0 0 0 54120 1 0 0 0 0 54121 1 0 0 0 0 55122 1 0 0 0 0 55123 1 0 0 0 0 55124 1 0 0 0 0 56 57 1 0 0 0 0 57 60 1 0 0 0 0 57128 1 0 0 0 0 58 59 1 0 0 0 0 59 61 1 0 0 0 0 59129 1 0 0 0 0 60130 1 0 0 0 0 60131 1 0 0 0 0 61132 1 0 0 0 0 61133 1 0 0 0 0 62 64 1 0 0 0 0 63 65 1 0 0 0 0 64 66 1 0 0 0 0 65 67 1 0 0 0 0 66138 1 0 0 0 0 67139 1 0 0 0 0 68 70 1 0 0 0 0 68 72 2 0 0 0 0 69 71 1 0 0 0 0 69 73 2 0 0 0 0 70 74 2 0 0 0 0 71 75 2 0 0 0 0 72 76 1 0 0 0 0 72140 1 0 0 0 0 73 78 1 0 0 0 0 73141 1 0 0 0 0 74 77 1 0 0 0 0 74142 1 0 0 0 0 75 79 1 0 0 0 0 75143 1 0 0 0 0 76 77 2 0 0 0 0 76144 1 0 0 0 0 77145 1 0 0 0 0 78 79 2 0 0 0 0 78146 1 0 0 0 0 79147 1 0 0 0 0 M END > 44582412 > 1 > 2170 > 20 > 8 > 27 > AAADcfB//ABgAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx/gAAHgQQCAAADSjl1ga+yLPIEgioATX3XACCgSQ3EjAI2KG4dNgKcP7g0bGUYIhmtgD4yMcQAAAIAAAAAAAAACAAAAAAAAAAQAAAAAAAAA== > (2S)-2-[[(2R)-3-[(1S,2R)-3-[[(1S)-1-carboxy-2-methyl-propyl]-methyl-amino]-2-[[(2S)-2-[[(2R)-3-hydroxy-2-(quinoxaline-2-carbonylamino)propanoyl]amino]propanoyl]-methyl-amino]-1-methylsulfanyl-3-oxo-propyl]sulfanyl-2-[[(2S)-2-[[(2R)-3-hydroxy-2-(quinoxaline-2-carbonylamino)propanoyl]amino]propanoyl]-methyl-amino]propanoyl]-methyl-amino]-3-methyl-butanoic acid > (2S)-2-[[(2R)-3-[[(1S,2R)-3-[[(1S)-1-carboxy-2-methylpropyl]-methylamino]-2-[[(2S)-2-[[(2R)-3-hydroxy-1-oxo-2-[[oxo(2-quinoxalinyl)methyl]amino]propyl]amino]-1-oxopropyl]-methylamino]-1-(methylthio)-3-oxopropyl]thio]-2-[[(2S)-2-[[(2R)-3-hydroxy-1-oxo-2-[[oxo(2-quinoxalinyl)methyl]amino]propyl]amino]-1-oxopropyl]-methylamino]-1-oxopropyl]-methylamino]-3-methylbutanoic acid > (2S)-2-[[(2R)-3-[(1S,2R)-3-[[(1S)-1-carboxy-2-methylpropyl]-methylamino]-2-[[(2S)-2-[[(2R)-3-hydroxy-2-(quinoxaline-2-carbonylamino)propanoyl]amino]propanoyl]-methylamino]-1-methylsulfanyl-3-oxopropyl]sulfanyl-2-[[(2S)-2-[[(2R)-3-hydroxy-2-(quinoxaline-2-carbonylamino)propanoyl]amino]propanoyl]-methylamino]propanoyl]-methylamino]-3-methylbutanoic acid > (2S)-2-[[(2R)-3-[(1S,2R)-3-[[(1S)-1-carboxy-2-methylpropyl]-methylamino]-2-[[(2S)-2-[[(2R)-3-hydroxy-2-(quinoxaline-2-carbonylamino)propanoyl]amino]propanoyl]-methylamino]-1-methylsulfanyl-3-oxopropyl]sulfanyl-2-[[(2S)-2-[[(2R)-3-hydroxy-2-(quinoxaline-2-carbonylamino)propanoyl]amino]propanoyl]-methylamino]propanoyl]-methylamino]-3-methylbutanoic acid > (2S)-3-methyl-2-[methyl-[(2R)-3-[(1S,2R)-3-[methyl-[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-2-[methyl-[(2S)-2-[[(2R)-3-oxidanyl-2-(quinoxalin-2-ylcarbonylamino)propanoyl]amino]propanoyl]amino]-1-methylsulfanyl-3-oxidanylidene-propyl]sulfanyl-2-[methyl-[(2S)-2-[[(2R)-3-oxidanyl-2-(quinoxalin-2-ylcarbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]butanoic acid > (2S)-2-[[(2R)-3-[[(1S,2R)-3-[[(1S)-1-carboxy-2-methyl-propyl]-methyl-amino]-2-[[(2S)-2-[[(2R)-3-hydroxy-2-(quinoxaline-2-carbonylamino)propanoyl]amino]propanoyl]-methyl-amino]-3-keto-1-(methylthio)propyl]thio]-2-[[(2S)-2-[[(2R)-3-hydroxy-2-(quinoxaline-2-carbonylamino)propanoyl]amino]propanoyl]-methyl-amino]propanoyl]-methyl-amino]-3-methyl-butyric acid > InChI=1S/C51H68N12O14S2/c1-25(2)38(49(74)75)61(8)47(72)37(60(7)45(70)27(5)54-43(68)35(22-64)58-41(66)33-20-52-29-16-12-14-18-31(29)56-33)24-79-51(78-11)40(48(73)62(9)39(26(3)4)50(76)77)63(10)46(71)28(6)55-44(69)36(23-65)59-42(67)34-21-53-30-17-13-15-19-32(30)57-34/h12-21,25-28,35-40,51,64-65H,22-24H2,1-11H3,(H,54,68)(H,55,69)(H,58,66)(H,59,67)(H,74,75)(H,76,77)/t27-,28-,35+,36+,37-,38-,39-,40+,51-/m0/s1 > IZAHRQDCJNCMKL-VLNMHYLBSA-N > 1.2 > 1136.44193724 > C51H68N12O14S2 > 1137.3 > CC(C)C(C(=O)O)N(C)C(=O)C(CSC(C(C(=O)N(C)C(C(C)C)C(=O)O)N(C)C(=O)C(C)NC(=O)C(CO)NC(=O)C1=NC2=CC=CC=C2N=C1)SC)N(C)C(=O)C(C)NC(=O)C(CO)NC(=O)C3=NC4=CC=CC=C4N=C3 > C[C@@H](C(=O)N(C)[C@@H](CS[C@@H]([C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)O)N(C)C(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)C1=NC2=CC=CC=C2N=C1)SC)C(=O)N(C)[C@@H](C(C)C)C(=O)O)NC(=O)[C@@H](CO)NC(=O)C3=NC4=CC=CC=C4N=C3 > 415 > 1136.44193724 > 0 > 79 > 9 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 32 1 5 31 17 6 29 18 5 34 19 6 30 20 5 43 21 6 51 22 5 57 23 6 59 24 5 25 64 8 25 68 8 26 65 8 26 69 8 27 66 8 27 70 8 28 67 8 28 71 8 64 66 8 65 67 8 68 70 8 68 72 8 69 71 8 69 73 8 70 74 8 71 75 8 72 76 8 73 78 8 74 77 8 75 79 8 76 77 8 78 79 8 $$$$