44217070 -OEChem-05102420492D 144146 0 1 0 0 0 0 0999 V2000 9.0622 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7942 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5263 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5263 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7987 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5308 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2006 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5308 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9949 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3968 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7942 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7987 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5308 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7269 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2238 2.1681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2628 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9949 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1962 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9282 -4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9282 -3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0622 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7942 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7942 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7942 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6603 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6647 4.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6647 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6603 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9327 4.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7987 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5263 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9327 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7987 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6957 1.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 1.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8909 2.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3968 4.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5308 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7987 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8609 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3635 0.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4065 0.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3968 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9949 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0528 -0.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0743 -0.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6592 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9282 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3913 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5991 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2742 -1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6728 -0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4048 -4.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0063 -3.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6401 -0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7932 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0201 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7522 -3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5252 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3722 -5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6822 -0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4422 -0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1742 -5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7942 -6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4142 -5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3312 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1233 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2017 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8768 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2753 3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4482 -0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0497 -1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9327 3.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4696 5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3357 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0677 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7631 3.5118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3968 3.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2639 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3767 6.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5297 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7567 5.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1087 5.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3357 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4887 6.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6075 2.2350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9702 0.8948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2594 4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4624 4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6658 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7998 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7998 0.2267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0632 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0074 5.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6088 6.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4669 -0.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5318 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8817 -0.9791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3409 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7394 3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6637 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5308 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7259 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 2 0 0 0 0 2 35 2 0 0 0 0 3 38 2 0 0 0 0 4 44 1 0 0 0 0 4131 1 0 0 0 0 5 47 2 0 0 0 0 6 49 2 0 0 0 0 7 55 2 0 0 0 0 8 58 1 0 0 0 0 8141 1 0 0 0 0 9 58 2 0 0 0 0 10 65 1 0 0 0 0 10142 1 0 0 0 0 11 66 2 0 0 0 0 12 67 2 0 0 0 0 13 73 1 0 0 0 0 13143 1 0 0 0 0 14 74 1 0 0 0 0 14144 1 0 0 0 0 15 74 2 0 0 0 0 29 16 1 6 0 0 0 16 30 1 0 0 0 0 16 79 1 0 0 0 0 27 17 1 1 0 0 0 17 38 1 0 0 0 0 17 90 1 0 0 0 0 18 35 1 0 0 0 0 40 18 1 1 0 0 0 18 97 1 0 0 0 0 39 19 1 6 0 0 0 19109 1 0 0 0 0 19110 1 0 0 0 0 45 20 1 6 0 0 0 20 49 1 0 0 0 0 20111 1 0 0 0 0 42 21 1 1 0 0 0 21 55 1 0 0 0 0 21112 1 0 0 0 0 22 47 1 0 0 0 0 22 59 1 0 0 0 0 22115 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23122 1 0 0 0 0 54 24 1 6 0 0 0 24 66 1 0 0 0 0 24129 1 0 0 0 0 63 25 1 1 0 0 0 25 67 1 0 0 0 0 25135 1 0 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 26 33 1 1 0 0 0 26 75 1 0 0 0 0 27 30 1 0 0 0 0 27 76 1 0 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 28 34 1 6 0 0 0 28 77 1 0 0 0 0 29 35 1 0 0 0 0 29 78 1 0 0 0 0 31 36 1 0 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 32 37 1 0 0 0 0 32 82 1 0 0 0 0 32 83 1 0 0 0 0 33 84 1 0 0 0 0 33 85 1 0 0 0 0 33 86 1 0 0 0 0 34 87 1 0 0 0 0 34 88 1 0 0 0 0 34 89 1 0 0 0 0 36 91 1 0 0 0 0 36 92 1 0 0 0 0 36 93 1 0 0 0 0 37 94 1 0 0 0 0 37 95 1 0 0 0 0 37 96 1 0 0 0 0 38 39 1 0 0 0 0 39 41 1 0 0 0 0 39 98 1 0 0 0 0 40 44 1 0 0 0 0 40 47 1 0 0 0 0 40 99 1 0 0 0 0 41 50 1 0 0 0 0 41100 1 0 0 0 0 41101 1 0 0 0 0 42 43 1 0 0 0 0 42 49 1 0 0 0 0 42102 1 0 0 0 0 43 46 1 0 0 0 0 43103 1 0 0 0 0 43104 1 0 0 0 0 44105 1 0 0 0 0 44106 1 0 0 0 0 45 48 1 0 0 0 0 45 58 1 0 0 0 0 45107 1 0 0 0 0 46 51 1 0 0 0 0 46 53 2 0 0 0 0 48 56 1 0 0 0 0 48 57 1 0 0 0 0 48108 1 0 0 0 0 50 61 2 0 0 0 0 50 62 1 0 0 0 0 51 52 1 0 0 0 0 51 60 2 0 0 0 0 52 64 2 0 0 0 0 53113 1 0 0 0 0 54 55 1 0 0 0 0 54 65 1 0 0 0 0 54114 1 0 0 0 0 56116 1 0 0 0 0 56117 1 0 0 0 0 56118 1 0 0 0 0 57119 1 0 0 0 0 57120 1 0 0 0 0 57121 1 0 0 0 0 59 67 1 0 0 0 0 59124 1 0 0 0 0 59125 1 0 0 0 0 60 68 1 0 0 0 0 60123 1 0 0 0 0 61 70 1 0 0 0 0 61126 1 0 0 0 0 62 71 2 0 0 0 0 62127 1 0 0 0 0 63 66 1 0 0 0 0 63 72 1 0 0 0 0 63128 1 0 0 0 0 64 69 1 0 0 0 0 64130 1 0 0 0 0 65132 1 0 0 0 0 65133 1 0 0 0 0 68 69 2 0 0 0 0 68134 1 0 0 0 0 69136 1 0 0 0 0 70 73 2 0 0 0 0 70139 1 0 0 0 0 71 73 1 0 0 0 0 71140 1 0 0 0 0 72 74 1 0 0 0 0 72137 1 0 0 0 0 72138 1 0 0 0 0 M END > 44217070 > 1 > 1940 > 16 > 15 > 30 > AAADcfB//AAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgAQCAAADSzhngY+zvLJkgCoAzX3XACCgCAxIiAI2aG+bJgKdv7CkbOUcAhm9hHY2Ae/yeCOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-carboxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoic acid > (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-3-carboxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-methylbutanoic acid > (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid > (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid > (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoic acid > (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-carboxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butyric acid > InChI=1S/C49H70N10O15/c1-7-25(5)40(59-48(72)41(26(6)8-2)58-42(66)31(50)17-27-13-15-29(62)16-14-27)47(71)56-35(22-60)43(67)52-21-37(63)53-34(19-38(64)65)44(68)55-36(23-61)46(70)54-33(45(69)57-39(24(3)4)49(73)74)18-28-20-51-32-12-10-9-11-30(28)32/h9-16,20,24-26,31,33-36,39-41,51,60-62H,7-8,17-19,21-23,50H2,1-6H3,(H,52,67)(H,53,63)(H,54,70)(H,55,68)(H,56,71)(H,57,69)(H,58,66)(H,59,72)(H,64,65)(H,73,74)/t25-,26-,31-,33-,34-,35-,36-,39-,40-,41-/m0/s1 > XVBPNDVKJKEFTQ-CCOYXTCBSA-N > -2.7 > 1038.50221156 > C49H70N10O15 > 1039.1 > CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CO)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)N > CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)N > 410 > 1038.50221156 > 0 > 74 > 10 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 29 16 6 27 17 5 40 18 5 39 19 6 45 20 6 42 21 5 23 52 8 23 53 8 54 24 6 63 25 5 26 33 5 28 34 6 46 51 8 46 53 8 50 61 8 50 62 8 51 52 8 51 60 8 52 64 8 60 68 8 61 70 8 62 71 8 64 69 8 68 69 8 70 73 8 71 73 8 $$$$