71458849 -OEChem-05132414032D 134138 0 1 0 0 0 0 0999 V2000 14.0846 -3.9017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4812 -3.7760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7884 -0.5926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1205 0.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1420 -0.0545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9951 -0.8439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7704 -2.6193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4347 -1.1307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7274 -2.2069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4097 1.3084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7848 1.6403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7566 5.0139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8349 -4.8474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8278 1.2279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3487 -0.3058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6067 -2.7804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4383 -3.3636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1276 -4.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1241 -2.0812 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7954 -5.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1456 -2.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7634 1.8465 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7059 -2.0006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0775 0.5641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4168 -3.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7919 -2.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0740 2.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3738 -2.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3523 -2.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4062 3.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8349 -3.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7669 -0.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4848 -6.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7739 -4.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4312 1.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0560 0.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4174 3.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8887 -3.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0139 4.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6154 4.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 0.4835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4185 -4.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8887 -4.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4742 0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1850 -0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0166 -1.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6629 -1.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0201 -3.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3667 1.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2065 -0.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8269 2.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0197 4.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0226 -3.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6573 6.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -1.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0226 -5.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8327 2.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4291 3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6989 2.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3452 1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1566 -3.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1566 -4.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9173 -1.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0095 3.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6559 2.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9880 3.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8316 -3.4915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5807 -4.0221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7450 -4.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7307 -1.9534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9880 -4.4691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1250 -1.6678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5317 -2.2001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5707 1.2572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9630 -2.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5133 -2.5900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4709 0.4363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6209 2.5050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4566 3.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8474 -3.0726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6050 -3.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0414 -1.0028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9590 -2.4109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3134 -1.7454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8954 -5.8163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2922 -6.5983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0741 -6.2016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9018 -5.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3806 -4.7244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6461 -4.2455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0766 0.1507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6699 0.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6023 1.8977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3708 2.1018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1826 4.7634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 0.3557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0385 -4.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2056 -1.0866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 -0.5543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2523 -1.7808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8555 -0.9989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0736 -1.3956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5587 -3.6971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4342 -3.7445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4816 -2.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0275 -5.4368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1859 -0.0535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5927 -0.5858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0771 2.0640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7695 5.0285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0226 -2.4227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2742 6.0706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5957 6.6259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0403 5.9474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9164 -2.2434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5097 -1.7111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0226 -5.6627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4666 2.2389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8128 3.7212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2212 1.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0204 1.8172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0922 2.3373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7593 1.4656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6197 -3.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6197 -4.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5414 0.2835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7421 -0.4337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8968 -1.2103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3035 -1.7426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5955 3.8772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2625 3.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1806 4.2112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0207 -3.2419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 2 0 0 0 0 2 26 2 0 0 0 0 3 32 2 0 0 0 0 4 35 2 0 0 0 0 5 44 2 0 0 0 0 6 46 2 0 0 0 0 17 7 1 6 0 0 0 7 26 1 0 0 0 0 7 75 1 0 0 0 0 19 8 1 1 0 0 0 8 32 1 0 0 0 0 8 82 1 0 0 0 0 23 9 1 6 0 0 0 9 25 1 0 0 0 0 9 84 1 0 0 0 0 24 10 1 1 0 0 0 10 35 1 0 0 0 0 10 93 1 0 0 0 0 22 11 1 6 0 0 0 11 44 1 0 0 0 0 11 94 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 12 54 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 13106 1 0 0 0 0 41 14 1 6 0 0 0 14120 1 0 0 0 0 14121 1 0 0 0 0 15 46 1 0 0 0 0 15126 1 0 0 0 0 15127 1 0 0 0 0 16 63 1 0 0 0 0 16133 1 0 0 0 0 16134 1 0 0 0 0 17 18 1 0 0 0 0 17 25 1 0 0 0 0 17 67 1 0 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 21 1 0 0 0 0 19 26 1 0 0 0 0 19 70 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 71 1 0 0 0 0 21 31 1 0 0 0 0 21 72 1 0 0 0 0 21 73 1 0 0 0 0 22 27 1 0 0 0 0 22 35 1 0 0 0 0 22 74 1 0 0 0 0 23 28 1 0 0 0 0 23 46 1 0 0 0 0 23 76 1 0 0 0 0 24 32 1 0 0 0 0 24 36 1 0 0 0 0 24 77 1 0 0 0 0 27 30 1 0 0 0 0 27 78 1 0 0 0 0 27 79 1 0 0 0 0 28 29 1 0 0 0 0 28 80 1 0 0 0 0 28 81 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 83 1 0 0 0 0 30 37 1 0 0 0 0 30 40 2 0 0 0 0 31 38 1 0 0 0 0 31 42 2 0 0 0 0 33 85 1 0 0 0 0 33 86 1 0 0 0 0 33 87 1 0 0 0 0 34 88 1 0 0 0 0 34 89 1 0 0 0 0 34 90 1 0 0 0 0 36 49 1 0 0 0 0 36 91 1 0 0 0 0 36 92 1 0 0 0 0 37 39 1 0 0 0 0 37 51 2 0 0 0 0 38 43 1 0 0 0 0 38 53 2 0 0 0 0 39 52 2 0 0 0 0 40 95 1 0 0 0 0 41 44 1 0 0 0 0 41 45 1 0 0 0 0 41 96 1 0 0 0 0 42 97 1 0 0 0 0 43 56 2 0 0 0 0 45 50 1 0 0 0 0 45 98 1 0 0 0 0 45 99 1 0 0 0 0 47100 1 0 0 0 0 47101 1 0 0 0 0 47102 1 0 0 0 0 48103 1 0 0 0 0 48104 1 0 0 0 0 48105 1 0 0 0 0 49 59 2 0 0 0 0 49 60 1 0 0 0 0 50 55 1 0 0 0 0 50107 1 0 0 0 0 50108 1 0 0 0 0 51 57 1 0 0 0 0 51109 1 0 0 0 0 52 58 1 0 0 0 0 52110 1 0 0 0 0 53 61 1 0 0 0 0 53111 1 0 0 0 0 54112 1 0 0 0 0 54113 1 0 0 0 0 54114 1 0 0 0 0 55 63 1 0 0 0 0 55115 1 0 0 0 0 55116 1 0 0 0 0 56 62 1 0 0 0 0 56117 1 0 0 0 0 57 58 2 0 0 0 0 57118 1 0 0 0 0 58119 1 0 0 0 0 59 64 1 0 0 0 0 59122 1 0 0 0 0 60 65 2 0 0 0 0 60123 1 0 0 0 0 61 62 2 0 0 0 0 61124 1 0 0 0 0 62125 1 0 0 0 0 63128 1 0 0 0 0 63129 1 0 0 0 0 64 66 2 0 0 0 0 64130 1 0 0 0 0 65 66 1 0 0 0 0 65131 1 0 0 0 0 66132 1 0 0 0 0 M END > 71458849 > 1 > 1590 > 8 > 9 > 25 > AAADcfB/+AAAAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/gAAHgAQAAAADSjBngQ+wPPNkACoAzV3VACCgCAxAiAI2aG4ZJgIYPLAkbGUIAhglgDIyAcYicCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (2S)-2,6-diamino-N-[(1R)-2-[[(1S)-1-benzyl-2-[[(1R)-2-[[(1S)-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-[(1-methylindol-3-yl)methyl]-2-oxo-ethyl]hexanamide > (2S)-2,6-diamino-N-[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1-methyl-3-indolyl)-1-oxopropan-2-yl]hexanamide > (2S)-2,6-diamino-N-[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]hexanamide > (2S)-2,6-diamino-N-[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]hexanamide > (2S)-2,6-bis(azanyl)-N-[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-(1-methylindol-3-yl)-1-oxidanylidene-propan-2-yl]hexanamide > (2S)-2,6-diamino-N-[(1R)-2-[[(1S)-1-benzyl-2-[[(1R)-2-[[(1S)-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]amino]-2-keto-1-[(1-methylindol-3-yl)methyl]ethyl]hexanamide > InChI=1S/C50H68N10O6/c1-30(2)23-39(45(53)61)55-47(63)40(24-31(3)4)57-49(65)42(26-33-28-54-38-20-11-9-17-35(33)38)59-48(64)41(25-32-15-7-6-8-16-32)58-50(66)43(56-46(62)37(52)19-13-14-22-51)27-34-29-60(5)44-21-12-10-18-36(34)44/h6-12,15-18,20-21,28-31,37,39-43,54H,13-14,19,22-27,51-52H2,1-5H3,(H2,53,61)(H,55,63)(H,56,62)(H,57,65)(H,58,66)(H,59,64)/t37-,39-,40-,41-,42+,43+/m0/s1 > AHWBBFQVXUUXQV-KBWIMFBDSA-N > 4.7 > 904.53232993 > C50H68N10O6 > 905.1 > CC(C)CC(C(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CN(C5=CC=CC=C54)C)NC(=O)C(CCCCN)N > CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H](CC4=CN(C5=CC=CC=C54)C)NC(=O)[C@H](CCCCN)N > 261 > 904.53232993 > 0 > 66 > 6 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 24 10 5 22 11 6 12 39 8 12 40 8 13 42 8 13 43 8 41 14 6 30 37 8 30 40 8 31 38 8 31 42 8 37 39 8 37 51 8 38 43 8 38 53 8 39 52 8 43 56 8 49 59 8 49 60 8 51 57 8 52 58 8 53 61 8 56 62 8 57 58 8 59 64 8 60 65 8 61 62 8 64 66 8 65 66 8 17 7 6 19 8 5 23 9 6 $$$$