6102706 -OEChem-05012417162D 130135 0 1 0 0 0 0 0999 V2000 6.7629 -1.3046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2674 1.2926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5616 -2.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7689 2.1595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5437 -4.4347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2734 4.7619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2115 -5.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7779 7.3556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8508 -1.2512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2674 1.2960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8973 -3.8966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7719 3.8932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9224 -6.3357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7749 5.6236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9653 -8.3576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7457 5.9966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2644 -0.4412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8536 0.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2644 -0.4395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8041 0.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8024 -0.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7659 0.4274 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7659 0.4291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5401 -2.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2080 -2.9461 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2644 -0.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1865 -2.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2644 -0.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4972 -1.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8543 -3.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7689 2.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2704 3.0281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5652 -4.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2704 3.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2545 -5.5914 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7659 0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7629 -1.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2760 -5.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7719 3.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7689 2.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7659 0.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7629 -1.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2734 4.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9653 -6.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2644 -0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7749 5.6253 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0191 -7.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2764 6.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9009 -6.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5490 -7.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0191 -8.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2764 6.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1531 -6.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5687 -6.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 7.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1531 -8.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6914 5.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 6.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 6.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2871 -7.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2871 -8.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 8.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 7.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2764 6.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 8.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 8.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8772 -1.1979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1068 0.9328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3172 0.6777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6444 -0.4384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4206 -0.0097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9341 0.6624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9302 -1.5505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4191 -0.8801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3859 0.4263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0768 0.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6220 -3.4075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1557 -1.0464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8467 -0.6491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7932 -2.6120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1429 -1.3036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6474 1.2971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8874 1.2915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2906 -4.0244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0865 -1.9819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6898 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9078 -1.5967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3929 -3.8982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2684 -3.9456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3158 -3.0701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8904 3.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5795 2.4923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0619 -6.1807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0769 0.9690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0720 -1.8369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3919 3.8922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2554 -5.1780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6622 -5.7103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3094 4.2058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4628 4.4342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2344 3.5876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2325 2.4756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4580 1.6283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3053 1.8537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4569 0.9718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 -1.8341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7297 -6.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6444 -0.4297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0858 6.1617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8594 6.7032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1698 7.1030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1690 -7.5529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0840 5.0861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1580 -8.9469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1531 -5.9329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1072 -7.2878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9828 -7.3352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0302 -6.4597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1531 -9.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8830 5.1005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7501 -6.7429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2448 5.6313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7501 -8.3629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4918 8.4694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 7.4682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2753 5.8670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8964 6.4859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2775 7.1070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 9.5534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7472 9.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 6 0 0 0 1 81 1 0 0 0 0 22 2 1 6 0 0 0 2 83 1 0 0 0 0 3 24 2 0 0 0 0 4 31 2 0 0 0 0 5 33 2 0 0 0 0 6 43 2 0 0 0 0 7 49 2 0 0 0 0 8 58 2 0 0 0 0 9 17 1 0 0 0 0 9 21 1 0 0 0 0 9 24 1 0 0 0 0 23 10 1 6 0 0 0 10 31 1 0 0 0 0 10 82 1 0 0 0 0 25 11 1 6 0 0 0 11 33 1 0 0 0 0 11 84 1 0 0 0 0 32 12 1 6 0 0 0 12 43 1 0 0 0 0 12 96 1 0 0 0 0 35 13 1 1 0 0 0 13 49 1 0 0 0 0 13107 1 0 0 0 0 46 14 1 6 0 0 0 14 58 1 0 0 0 0 14113 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 15114 1 0 0 0 0 16 57 1 0 0 0 0 16 59 1 0 0 0 0 16122 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 67 1 1 0 0 0 18 20 1 0 0 0 0 18 68 1 0 0 0 0 18 69 1 0 0 0 0 19 22 1 0 0 0 0 19 70 1 0 0 0 0 20 21 1 0 0 0 0 20 71 1 0 0 0 0 20 72 1 0 0 0 0 21 73 1 0 0 0 0 21 74 1 0 0 0 0 22 23 1 0 0 0 0 22 75 1 0 0 0 0 23 26 1 0 0 0 0 23 76 1 0 0 0 0 24 25 1 0 0 0 0 25 27 1 0 0 0 0 25 77 1 0 0 0 0 26 28 1 0 0 0 0 26 78 1 0 0 0 0 26 79 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 27 80 1 0 0 0 0 28 36 2 0 0 0 0 28 37 1 0 0 0 0 29 85 1 0 0 0 0 29 86 1 0 0 0 0 29 87 1 0 0 0 0 30 88 1 0 0 0 0 30 89 1 0 0 0 0 30 90 1 0 0 0 0 31 32 1 0 0 0 0 32 34 1 0 0 0 0 32 91 1 0 0 0 0 33 35 1 0 0 0 0 34 39 1 0 0 0 0 34 40 1 0 0 0 0 34 92 1 0 0 0 0 35 38 1 0 0 0 0 35 93 1 0 0 0 0 36 41 1 0 0 0 0 36 94 1 0 0 0 0 37 42 2 0 0 0 0 37 95 1 0 0 0 0 38 44 1 0 0 0 0 38 97 1 0 0 0 0 38 98 1 0 0 0 0 39 99 1 0 0 0 0 39100 1 0 0 0 0 39101 1 0 0 0 0 40102 1 0 0 0 0 40103 1 0 0 0 0 40104 1 0 0 0 0 41 45 2 0 0 0 0 41105 1 0 0 0 0 42 45 1 0 0 0 0 42106 1 0 0 0 0 43 46 1 0 0 0 0 44 47 1 0 0 0 0 44 50 2 0 0 0 0 45108 1 0 0 0 0 46 48 1 0 0 0 0 46109 1 0 0 0 0 47 51 1 0 0 0 0 47 53 2 0 0 0 0 48 52 1 0 0 0 0 48110 1 0 0 0 0 48111 1 0 0 0 0 49 54 1 0 0 0 0 50112 1 0 0 0 0 51 56 2 0 0 0 0 52 55 1 0 0 0 0 52 57 2 0 0 0 0 53 60 1 0 0 0 0 53115 1 0 0 0 0 54116 1 0 0 0 0 54117 1 0 0 0 0 54118 1 0 0 0 0 55 59 1 0 0 0 0 55 62 2 0 0 0 0 56 61 1 0 0 0 0 56119 1 0 0 0 0 57120 1 0 0 0 0 58 64 1 0 0 0 0 59 63 2 0 0 0 0 60 61 2 0 0 0 0 60121 1 0 0 0 0 61123 1 0 0 0 0 62 65 1 0 0 0 0 62124 1 0 0 0 0 63 66 1 0 0 0 0 63125 1 0 0 0 0 64126 1 0 0 0 0 64127 1 0 0 0 0 64128 1 0 0 0 0 65 66 2 0 0 0 0 65129 1 0 0 0 0 66130 1 0 0 0 0 M END > 6102706 > 1 > 1660 > 8 > 9 > 20 > AAADcfB//AAAAAAAAAAAAAAAAAAAAWLFgAAwYMAAAAAAAFgB/gAAHgAQCAAADTzhngY+wPPJkgCoAzV3VACCgCAxAiAI2aG4ZJgLcPLAkbGUYAhmlgDZyAeY2fKOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N-[(1S,2S,3S)-3-[(2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]-1-benzyl-2,3-dihydroxy-propyl]-3-methyl-butanamide > (2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)-1-oxopropyl]amino]-N-[(2S,3S,4S)-4-[(2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-3,4-dihydroxy-1-phenylbutan-2-yl]-3-methylbutanamide > (2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S,3S,4S)-4-[(2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3,4-dihydroxy-1-phenylbutan-2-yl]-3-methylbutanamide > (2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S,3S,4S)-4-[(2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3,4-dihydroxy-1-phenylbutan-2-yl]-3-methylbutanamide > (2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S,3S,4S)-4-[(2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]-3,4-bis(oxidanyl)-1-phenyl-butan-2-yl]-3-methyl-butanamide > (2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N-[(1S,2S,3S)-3-[(2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]-1-benzyl-2,3-dihydroxy-propyl]-3-methyl-butyramide > InChI=1S/C50H64N8O8/c1-28(2)43(56-47(63)40(53-30(5)59)24-33-26-51-37-19-12-10-17-35(33)37)49(65)55-39(23-32-15-8-7-9-16-32)45(61)46(62)42-21-14-22-58(42)50(66)44(29(3)4)57-48(64)41(54-31(6)60)25-34-27-52-38-20-13-11-18-36(34)38/h7-13,15-20,26-29,39-46,51-52,61-62H,14,21-25H2,1-6H3,(H,53,59)(H,54,60)(H,55,65)(H,56,63)(H,57,64)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1 > BDIYLIYACVEIHS-QVWIHFFISA-N > 4.7 > 904.48471103 > C50H64N8O8 > 905.1 > CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(C(C2CCCN2C(=O)C(C(C)C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C)O)O)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C > CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H]([C@H]([C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)C)O)O)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)C > 238 > 904.48471103 > 0 > 66 > 8 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 19 1 6 23 10 6 25 11 6 32 12 6 35 13 5 46 14 6 15 50 8 15 51 8 16 57 8 16 59 8 17 67 5 22 2 6 28 36 8 28 37 8 36 41 8 37 42 8 41 45 8 42 45 8 44 47 8 44 50 8 47 51 8 47 53 8 51 56 8 52 55 8 52 57 8 53 60 8 55 59 8 55 62 8 56 61 8 59 63 8 60 61 8 62 65 8 63 66 8 65 66 8 $$$$