71453485 -OEChem-05092407462D 139142 0 1 0 0 0 0 0999 V2000 11.4929 -4.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8896 -4.5720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1967 -1.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5289 -0.6443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4034 -1.6399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 2.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1787 -3.4153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1357 -3.0028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8430 -1.9267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8180 0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4823 2.0011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2432 -5.6434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7571 -1.1018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4573 4.4402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6820 6.2156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8466 -4.1596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5359 -5.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2038 -5.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5324 -2.8772 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5539 -3.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1143 -2.7966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8251 -3.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2002 -3.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7821 -3.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4859 -0.2318 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7606 -3.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9505 -2.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1717 1.0506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2432 -4.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1932 0.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8931 -6.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1823 -5.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1752 -1.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2612 -2.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4644 -0.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2970 -4.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8825 -0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8395 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8268 -4.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2970 -5.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4249 -1.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0713 -2.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4284 -4.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6399 -3.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9010 -3.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1252 3.6959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2397 -1.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5933 -1.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5504 -0.8505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9040 -0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1037 3.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8145 2.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7750 0.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4143 4.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 -3.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 -5.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3928 5.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 -4.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1072 1.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7535 1.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 -5.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7035 6.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4179 2.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0642 2.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3964 2.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2399 -4.2874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9890 -4.8181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1534 -5.5980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3964 -5.2651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1391 -2.7493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5333 -2.4637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9401 -2.9960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3714 -2.8259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9216 -3.3859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2557 -3.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0134 -4.1162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -0.3597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3673 -3.2068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7784 1.1784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4497 -1.7988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7217 -2.5414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1726 1.4640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5794 0.9317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3038 -6.6123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7005 -7.3942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4824 -6.9975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3101 -6.2548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7889 -5.5203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0544 -5.0415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4849 -0.6453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0782 -0.1130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0106 1.1018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0890 2.1289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4468 -4.8386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6606 -2.5768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2639 -1.7948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4819 -2.1916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9670 -4.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8425 -4.5405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8899 -3.6649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0505 -3.7157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4472 -4.4976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -4.1009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1926 -2.0578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4107 -2.4545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8074 -3.2364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7084 -3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4904 -3.4610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0936 -2.6791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5185 3.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6537 -2.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9867 -1.3908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1570 -0.7226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4899 0.1491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1242 3.2824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7175 3.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4358 -6.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3938 5.4723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8005 4.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 -3.2186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 -6.4586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4134 4.4392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0066 4.9715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 -4.0286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5005 1.5414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1676 0.6697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 -5.6486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9497 -0.5125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1504 -1.2296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6499 5.0295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8506 4.3123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6829 6.6290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0897 6.0967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0038 3.0812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6709 2.2095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5890 3.4153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8746 6.8049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0961 5.7541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 2 0 0 0 0 2 23 2 0 0 0 0 3 33 2 0 0 0 0 4 38 2 0 0 0 0 5 41 2 0 0 0 0 6 53 2 0 0 0 0 16 7 1 6 0 0 0 7 23 1 0 0 0 0 7 74 1 0 0 0 0 21 8 1 6 0 0 0 8 22 1 0 0 0 0 8 82 1 0 0 0 0 19 9 1 1 0 0 0 9 33 1 0 0 0 0 9 81 1 0 0 0 0 25 10 1 1 0 0 0 10 38 1 0 0 0 0 10 93 1 0 0 0 0 28 11 1 1 0 0 0 11 53 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 12118 1 0 0 0 0 13 41 1 0 0 0 0 13129 1 0 0 0 0 13130 1 0 0 0 0 47 14 1 1 0 0 0 14131 1 0 0 0 0 14132 1 0 0 0 0 15 63 1 0 0 0 0 15138 1 0 0 0 0 15139 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 16 67 1 0 0 0 0 17 18 1 0 0 0 0 17 68 1 0 0 0 0 17 69 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 70 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 19 71 1 0 0 0 0 20 29 1 0 0 0 0 20 72 1 0 0 0 0 20 73 1 0 0 0 0 21 24 1 0 0 0 0 21 41 1 0 0 0 0 21 75 1 0 0 0 0 24 26 1 0 0 0 0 24 76 1 0 0 0 0 24 77 1 0 0 0 0 25 33 1 0 0 0 0 25 35 1 0 0 0 0 25 78 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 79 1 0 0 0 0 27 34 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 30 1 0 0 0 0 28 38 1 0 0 0 0 28 80 1 0 0 0 0 29 36 1 0 0 0 0 29 39 2 0 0 0 0 30 37 1 0 0 0 0 30 83 1 0 0 0 0 30 84 1 0 0 0 0 31 85 1 0 0 0 0 31 86 1 0 0 0 0 31 87 1 0 0 0 0 32 88 1 0 0 0 0 32 89 1 0 0 0 0 32 90 1 0 0 0 0 34 48 2 0 0 0 0 34 49 1 0 0 0 0 35 54 1 0 0 0 0 35 91 1 0 0 0 0 35 92 1 0 0 0 0 36 40 1 0 0 0 0 36 56 2 0 0 0 0 37 50 2 0 0 0 0 37 51 1 0 0 0 0 39 95 1 0 0 0 0 40 57 2 0 0 0 0 42 96 1 0 0 0 0 42 97 1 0 0 0 0 42 98 1 0 0 0 0 43 99 1 0 0 0 0 43100 1 0 0 0 0 43101 1 0 0 0 0 44102 1 0 0 0 0 44103 1 0 0 0 0 44104 1 0 0 0 0 45105 1 0 0 0 0 45106 1 0 0 0 0 45107 1 0 0 0 0 46108 1 0 0 0 0 46109 1 0 0 0 0 46110 1 0 0 0 0 47 52 1 0 0 0 0 47 53 1 0 0 0 0 47111 1 0 0 0 0 48 50 1 0 0 0 0 48112 1 0 0 0 0 49 51 2 0 0 0 0 49113 1 0 0 0 0 50114 1 0 0 0 0 51115 1 0 0 0 0 52 55 1 0 0 0 0 52116 1 0 0 0 0 52117 1 0 0 0 0 54 60 2 0 0 0 0 54 61 1 0 0 0 0 55 58 1 0 0 0 0 55119 1 0 0 0 0 55120 1 0 0 0 0 56 59 1 0 0 0 0 56121 1 0 0 0 0 57 62 1 0 0 0 0 57122 1 0 0 0 0 58 63 1 0 0 0 0 58123 1 0 0 0 0 58124 1 0 0 0 0 59 62 2 0 0 0 0 59125 1 0 0 0 0 60 64 1 0 0 0 0 60126 1 0 0 0 0 61 65 2 0 0 0 0 61127 1 0 0 0 0 62128 1 0 0 0 0 63133 1 0 0 0 0 63134 1 0 0 0 0 64 66 2 0 0 0 0 64135 1 0 0 0 0 65 66 1 0 0 0 0 65136 1 0 0 0 0 66137 1 0 0 0 0 M END > 71453485 > 1 > 1560 > 8 > 9 > 26 > AAADcfB/+AAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAQAAAADyjBngQ+wPLJkACoAzV3VACCgCAxAiAI2aG4ZJgIYPLAkbGUIAhglgDIyAcYicCPwAAAAAACAACAAAAAAAQAAAAAAAAAAA== > (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-[(4-tert-butylphenyl)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-(4-tert-butylphenyl)-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-(4-tert-butylphenyl)-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-(4-tert-butylphenyl)-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-(4-tert-butylphenyl)-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]-1-(4-tert-butylbenzyl)-2-keto-ethyl]hexanamide > InChI=1S/C51H73N9O6/c1-31(2)25-40(45(54)61)56-47(63)41(26-32(3)4)58-50(66)44(29-35-30-55-39-19-12-11-17-37(35)39)60-49(65)43(27-33-15-9-8-10-16-33)59-48(64)42(57-46(62)38(53)18-13-14-24-52)28-34-20-22-36(23-21-34)51(5,6)7/h8-12,15-17,19-23,30-32,38,40-44,55H,13-14,18,24-29,52-53H2,1-7H3,(H2,54,61)(H,56,63)(H,57,62)(H,58,66)(H,59,64)(H,60,65)/t38-,40-,41-,42+,43-,44+/m0/s1 > MXCCUZSOTVUGHB-YOSOBYEJSA-N > 5 > 907.56838108 > C51H73N9O6 > 908.2 > 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=CC=C(C=C4)C(C)(C)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=CC=C(C=C4)C(C)(C)C)NC(=O)[C@H](CCCCN)N > 256 > 907.56838108 > 0 > 66 > 6 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 25 10 5 28 11 5 12 39 8 12 40 8 47 14 5 29 36 8 29 39 8 34 48 8 34 49 8 36 40 8 36 56 8 37 50 8 37 51 8 40 57 8 48 50 8 49 51 8 54 60 8 54 61 8 56 59 8 57 62 8 59 62 8 60 64 8 61 65 8 64 66 8 65 66 8 16 7 6 21 8 6 19 9 5 $$$$