72819157 -OEChem-05102403472D 130132 0 1 0 0 0 0 0999 V2000 7.7065 6.3285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3993 3.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1031 6.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3313 5.9967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6455 4.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3384 1.5309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0062 0.7866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2704 4.3824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6240 4.9205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6991 -2.3969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1926 3.3964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6311 0.4547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8390 2.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9847 0.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8351 -8.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0422 4.8399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4173 5.1718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3563 3.5576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6920 2.0690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4603 4.7594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7171 -0.3702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7600 -2.3921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0527 -1.8588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4314 -3.7598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7530 3.6832 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0637 4.6337 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7745 3.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7495 5.9161 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0601 6.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 5.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3923 7.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4208 2.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4638 2.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6885 4.3019 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7100 4.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7710 5.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7029 8.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4138 7.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0492 0.3741 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.0707 0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0027 3.0195 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7600 -0.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9992 5.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3349 3.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3599 1.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8138 -1.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9812 3.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3634 -0.9083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8138 -2.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3437 -1.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6956 -0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4818 4.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9478 -0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3419 -0.7020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9478 -2.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2919 4.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4099 -3.5536 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0818 -1.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7206 -2.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0818 -2.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0778 -4.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1711 3.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6526 0.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7671 -5.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7886 -5.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4349 -5.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4779 -6.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1243 -6.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1458 -7.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5604 3.0939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2563 5.2230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7539 4.0966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1607 3.5643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3561 6.0440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6070 6.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 7.3545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9782 8.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9594 2.5248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8349 2.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8823 3.3530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2348 5.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2247 4.5825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8745 2.7191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2712 1.9371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0531 2.3338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4959 3.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2923 8.3688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8956 9.1508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1136 8.7541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2859 8.0114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8071 7.2768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5416 6.7980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8566 -0.2152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0501 0.7876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4569 0.2553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4168 2.5580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1637 2.9682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5461 4.9604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3817 5.7403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0854 1.9411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8744 4.2979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5244 -0.9595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0018 2.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5950 3.1383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7775 -1.3697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9637 -1.5873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9527 -2.9814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4612 5.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 4.6405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9478 0.0327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3625 -1.3217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9557 -0.7894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4461 -1.9866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9478 -3.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5239 6.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2173 -4.1429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5448 -0.7773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5448 -2.3973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6247 -4.5899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4603 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2388 -4.3491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0174 -3.2984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4630 4.9718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3745 -4.9932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0416 -5.8649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8237 1.0440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8713 -6.5330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5384 -7.4047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2492 -8.5614 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 36 2 0 0 0 0 4 43 1 0 0 0 0 4115 1 0 0 0 0 5 44 2 0 0 0 0 6 45 2 0 0 0 0 7 51 2 0 0 0 0 8 56 1 0 0 0 0 8123 1 0 0 0 0 9 56 2 0 0 0 0 10 59 2 0 0 0 0 11 62 1 0 0 0 0 11126 1 0 0 0 0 12 63 1 0 0 0 0 12127 1 0 0 0 0 13 62 2 0 0 0 0 14 63 2 0 0 0 0 15 69 1 0 0 0 0 15130 1 0 0 0 0 16 26 1 0 0 0 0 16 35 1 0 0 0 0 16 81 1 0 0 0 0 17 28 1 0 0 0 0 17 30 1 0 0 0 0 17 82 1 0 0 0 0 18 34 1 0 0 0 0 18 44 1 0 0 0 0 18 97 1 0 0 0 0 19 41 1 0 0 0 0 19 45 1 0 0 0 0 19100 1 0 0 0 0 20 36 1 0 0 0 0 20 52 1 0 0 0 0 20101 1 0 0 0 0 21 39 1 0 0 0 0 21 51 1 0 0 0 0 21102 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22107 1 0 0 0 0 23 48 1 0 0 0 0 23 59 1 0 0 0 0 23113 1 0 0 0 0 24 57 1 0 0 0 0 24121 1 0 0 0 0 24122 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 32 1 0 0 0 0 25 70 1 0 0 0 0 26 30 1 0 0 0 0 26 71 1 0 0 0 0 27 33 1 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 28 29 1 0 0 0 0 28 36 1 0 0 0 0 28 74 1 0 0 0 0 29 31 1 0 0 0 0 29 75 1 0 0 0 0 29 76 1 0 0 0 0 31 37 1 0 0 0 0 31 38 1 0 0 0 0 31 77 1 0 0 0 0 32 78 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 33 85 1 0 0 0 0 34 35 1 0 0 0 0 34 43 1 0 0 0 0 34 86 1 0 0 0 0 37 87 1 0 0 0 0 37 88 1 0 0 0 0 37 89 1 0 0 0 0 38 90 1 0 0 0 0 38 91 1 0 0 0 0 38 92 1 0 0 0 0 39 40 1 0 0 0 0 39 45 1 0 0 0 0 39 93 1 0 0 0 0 40 42 1 0 0 0 0 40 94 1 0 0 0 0 40 95 1 0 0 0 0 41 44 1 0 0 0 0 41 47 1 0 0 0 0 41 96 1 0 0 0 0 42 46 1 0 0 0 0 42 50 2 0 0 0 0 43 98 1 0 0 0 0 43 99 1 0 0 0 0 46 49 1 0 0 0 0 46 53 2 0 0 0 0 47 56 1 0 0 0 0 47103 1 0 0 0 0 47104 1 0 0 0 0 48 51 1 0 0 0 0 48 54 1 0 0 0 0 48105 1 0 0 0 0 49 55 2 0 0 0 0 50106 1 0 0 0 0 52 62 1 0 0 0 0 52108 1 0 0 0 0 52109 1 0 0 0 0 53 58 1 0 0 0 0 53110 1 0 0 0 0 54 63 1 0 0 0 0 54111 1 0 0 0 0 54112 1 0 0 0 0 55 60 1 0 0 0 0 55114 1 0 0 0 0 57 59 1 0 0 0 0 57 61 1 0 0 0 0 57116 1 0 0 0 0 58 60 2 0 0 0 0 58117 1 0 0 0 0 60118 1 0 0 0 0 61 64 1 0 0 0 0 61119 1 0 0 0 0 61120 1 0 0 0 0 64 65 2 0 0 0 0 64 66 1 0 0 0 0 65 67 1 0 0 0 0 65124 1 0 0 0 0 66 68 2 0 0 0 0 66125 1 0 0 0 0 67 69 2 0 0 0 0 67128 1 0 0 0 0 68 69 1 0 0 0 0 68129 1 0 0 0 0 M END > 72819157 > 1 > 1810 > 16 > 14 > 28 > AAADcfB//AAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgAQCAAADSzhngY+zvLJkgCoAzX3XACCgCAxIiAI2aG+bJgKdv7CkbOUcAhm9hHY2Ae/yeCOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > 3-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-[[2-[[1-(carboxymethyl)-2-[[2-[[1-[[1-(carboxymethylcarbamoyl)-3-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid > 3-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-[[1-[[3-carboxy-1-[[1-[[1-[[1-(carboxymethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid > 3-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-[[1-[[3-carboxy-1-[[1-[[1-[[1-(carboxymethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid > 3-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-[[1-[[3-carboxy-1-[[1-[[1-[[1-(carboxymethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid > 3-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-[[1-[[1-[[1-[[1-[[1-(2-hydroxy-2-oxoethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid > 4-[[2-[[1-(carboxymethyl)-2-[[2-[[1-[[1-(carboxymethylcarbamoyl)-3-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-2-keto-1-methylol-ethyl]amino]-2-keto-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-4-keto-3-(tyrosylamino)butyric acid > InChI=1S/C45H61N9O15/c1-5-23(4)38(45(69)52-30(14-22(2)3)40(64)48-20-37(61)62)54-44(68)34(21-55)53-43(67)33(18-36(59)60)51-41(65)31(16-25-19-47-29-9-7-6-8-27(25)29)50-42(66)32(17-35(57)58)49-39(63)28(46)15-24-10-12-26(56)13-11-24/h6-13,19,22-23,28,30-34,38,47,55-56H,5,14-18,20-21,46H2,1-4H3,(H,48,64)(H,49,63)(H,50,66)(H,51,65)(H,52,69)(H,53,67)(H,54,68)(H,57,58)(H,59,60)(H,61,62) > MYMXEEXXFVIWLD-UHFFFAOYSA-N > -2.8 > 967.42871227 > C45H61N9O15 > 968.0 > CCC(C)C(C(=O)NC(CC(C)C)C(=O)NCC(=O)O)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)N > CCC(C)C(C(=O)NC(CC(C)C)C(=O)NCC(=O)O)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)N > 398 > 967.42871227 > 0 > 69 > 0 > 8 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 22 49 8 22 50 8 57 24 3 25 32 3 26 30 3 28 29 3 34 43 3 39 40 3 41 47 3 42 46 8 42 50 8 46 49 8 46 53 8 48 54 3 49 55 8 53 58 8 55 60 8 58 60 8 64 65 8 64 66 8 65 67 8 66 68 8 67 69 8 68 69 8 $$$$