72770091 -OEChem-05052407032D 141144 0 1 0 0 0 0 0999 V2000 11.9729 -5.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7223 -1.9843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5362 -8.3723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5708 -1.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3246 -2.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 2.7791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 0.4656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4206 -4.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 3.5234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0276 -4.1611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3539 1.0715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1396 -8.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7824 -6.8031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 7.9892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9065 -3.5122 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4897 -5.7269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1423 -2.5702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -1.5611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -0.0725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8254 -7.2155 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.7892 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 2.3666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9174 3.8552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7887 -3.9832 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.4057 -3.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3957 -3.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1790 -6.6774 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.2005 -6.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8899 -7.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8218 -4.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9912 -2.0417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8734 -2.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0127 -2.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7687 -4.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -1.0230 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9581 -1.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 -2.3054 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.8469 -7.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9114 -8.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5577 -8.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2601 -2.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 1.6223 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -2.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8070 -0.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6647 -3.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 0.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 1.8285 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -3.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7739 0.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6892 -0.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4932 -7.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 1.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8959 4.0614 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5637 3.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0376 -4.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2066 5.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6228 1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5381 -0.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5050 0.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5387 5.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4717 -7.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8494 6.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5602 5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1815 7.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8924 6.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 7.2449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2623 -4.3108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5983 -2.6069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8588 -2.9042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0095 -3.4245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7650 -6.2160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1800 -6.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5867 -6.7963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4758 -7.3727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3802 -3.8398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4443 -1.7497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0964 -5.5991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 -0.5616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5007 -2.9327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3953 -2.0623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5248 -2.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1935 -4.4962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0000 -4.8402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3440 -4.0337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7268 -0.4670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3514 -1.1701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -0.6096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -1.1419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4742 -1.7161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1628 -3.1898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7835 -7.4338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3047 -8.1683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0393 -8.6471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0962 -8.9926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9718 -9.0400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0192 -8.1644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8064 -0.9718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 0.0554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1135 2.2116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2506 -2.6309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1383 -3.4200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5061 1.9564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.9845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0180 -6.6262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -4.3786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6464 2.2388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2269 0.7776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7097 -1.6045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9669 -8.2875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7245 -8.5351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1058 0.6702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9813 0.6228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0287 1.4983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7033 3.4721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.1745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7535 4.7200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5891 5.4999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.7945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6023 1.6337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0850 -0.7484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8168 2.9069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5033 4.3167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7248 3.2659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6518 -5.3824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4560 6.8346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3676 4.9607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9008 0.7795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3741 8.0404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2857 6.1665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7462 -8.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7278 8.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 2 0 0 0 0 2 32 2 0 0 0 0 3 39 2 0 0 0 0 4 43 2 0 0 0 0 5 44 2 0 0 0 0 6 50 1 0 0 0 0 6131 1 0 0 0 0 7 49 2 0 0 0 0 8 61 1 0 0 0 0 8134 1 0 0 0 0 9 60 2 0 0 0 0 10 61 2 0 0 0 0 11 67 1 0 0 0 0 11137 1 0 0 0 0 12 69 1 0 0 0 0 12140 1 0 0 0 0 13 69 2 0 0 0 0 14 74 1 0 0 0 0 14141 1 0 0 0 0 15 24 1 0 0 0 0 15 32 1 0 0 0 0 15 83 1 0 0 0 0 16 27 1 0 0 0 0 16 30 1 0 0 0 0 16 85 1 0 0 0 0 17 31 1 0 0 0 0 17 43 1 0 0 0 0 17 98 1 0 0 0 0 18 38 1 0 0 0 0 18 44 1 0 0 0 0 18105 1 0 0 0 0 19 35 1 0 0 0 0 19 49 1 0 0 0 0 19106 1 0 0 0 0 20 39 1 0 0 0 0 20 56 1 0 0 0 0 20112 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 21113 1 0 0 0 0 22 45 1 0 0 0 0 22 60 1 0 0 0 0 22114 1 0 0 0 0 23 59 1 0 0 0 0 23132 1 0 0 0 0 23133 1 0 0 0 0 24 25 1 0 0 0 0 24 30 1 0 0 0 0 24 75 1 0 0 0 0 25 26 1 0 0 0 0 25 76 1 0 0 0 0 25 77 1 0 0 0 0 26 33 1 0 0 0 0 26 34 1 0 0 0 0 26 78 1 0 0 0 0 27 28 1 0 0 0 0 27 39 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 40 1 0 0 0 0 29 41 1 0 0 0 0 29 82 1 0 0 0 0 31 32 1 0 0 0 0 31 36 1 0 0 0 0 31 84 1 0 0 0 0 33 87 1 0 0 0 0 33 88 1 0 0 0 0 33 89 1 0 0 0 0 34 90 1 0 0 0 0 34 91 1 0 0 0 0 34 92 1 0 0 0 0 35 37 1 0 0 0 0 35 44 1 0 0 0 0 35 86 1 0 0 0 0 36 47 1 0 0 0 0 36 93 1 0 0 0 0 36 94 1 0 0 0 0 37 42 1 0 0 0 0 37 95 1 0 0 0 0 37 96 1 0 0 0 0 38 43 1 0 0 0 0 38 48 1 0 0 0 0 38 97 1 0 0 0 0 40 99 1 0 0 0 0 40100 1 0 0 0 0 40101 1 0 0 0 0 41102 1 0 0 0 0 41103 1 0 0 0 0 41104 1 0 0 0 0 42 46 1 0 0 0 0 42 52 2 0 0 0 0 45 49 1 0 0 0 0 45 50 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 47 54 2 0 0 0 0 47 55 1 0 0 0 0 48 61 1 0 0 0 0 48108 1 0 0 0 0 48109 1 0 0 0 0 50 58 1 0 0 0 0 50110 1 0 0 0 0 51 57 2 0 0 0 0 52111 1 0 0 0 0 53 62 1 0 0 0 0 53115 1 0 0 0 0 54 65 1 0 0 0 0 54116 1 0 0 0 0 55 66 2 0 0 0 0 55117 1 0 0 0 0 56 69 1 0 0 0 0 56118 1 0 0 0 0 56119 1 0 0 0 0 57 64 1 0 0 0 0 57120 1 0 0 0 0 58121 1 0 0 0 0 58122 1 0 0 0 0 58123 1 0 0 0 0 59 60 1 0 0 0 0 59 63 1 0 0 0 0 59124 1 0 0 0 0 62 64 2 0 0 0 0 62125 1 0 0 0 0 63 68 1 0 0 0 0 63126 1 0 0 0 0 63127 1 0 0 0 0 64128 1 0 0 0 0 65 67 2 0 0 0 0 65129 1 0 0 0 0 66 67 1 0 0 0 0 66130 1 0 0 0 0 68 70 2 0 0 0 0 68 71 1 0 0 0 0 70 72 1 0 0 0 0 70135 1 0 0 0 0 71 73 2 0 0 0 0 71136 1 0 0 0 0 72 74 2 0 0 0 0 72138 1 0 0 0 0 73 74 1 0 0 0 0 73139 1 0 0 0 0 M END > 72770091 > 1 > 1910 > 15 > 14 > 28 > AAADcfB//AAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAQCAAADTzhngY+zvLJkgCoAzX3XACCgCAxIiAI2aG+bJgKdv7CkbOUcAhm9hHY2Ae/yeCOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > 3-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[[2-[[1-[[1-(carboxymethylcarbamoyl)-3-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-4-oxo-butanoic acid > 3-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-[[1-[[1-[[1-(carboxymethylamino)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid > 3-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[[1-[[1-[[1-(carboxymethylamino)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid > 3-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[[1-[[1-[[1-(carboxymethylamino)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid > 3-[[2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[[1-[[1-[[1-(2-hydroxy-2-oxoethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid > 4-[[2-[[1-[[1-(carboxymethylcarbamoyl)-3-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-3-[[2-[[3-hydroxy-2-(tyrosylamino)butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-keto-butyric acid > InChI=1S/C51H67N9O14/c1-26(2)18-37(46(69)54-25-43(66)67)55-47(70)38(19-27(3)4)56-48(71)39(21-30-12-16-33(63)17-13-30)57-50(73)41(23-42(64)65)58-49(72)40(22-31-24-53-36-9-7-6-8-34(31)36)59-51(74)44(28(5)61)60-45(68)35(52)20-29-10-14-32(62)15-11-29/h6-17,24,26-28,35,37-41,44,53,61-63H,18-23,25,52H2,1-5H3,(H,54,69)(H,55,70)(H,56,71)(H,57,73)(H,58,72)(H,59,74)(H,60,68)(H,64,65)(H,66,67) > UMGLHZCESAGDGB-UHFFFAOYSA-N > 0 > 1029.48074785 > C51H67N9O14 > 1030.1 > CC(C)CC(C(=O)NC(CC(C)C)C(=O)NCC(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(C(C)O)NC(=O)C(CC4=CC=C(C=C4)O)N > CC(C)CC(C(=O)NC(CC(C)C)C(=O)NCC(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(C(C)O)NC(=O)C(CC4=CC=C(C=C4)O)N > 381 > 1029.48074785 > 0 > 74 > 0 > 8 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 21 51 8 21 52 8 59 23 3 24 25 3 27 28 3 31 36 3 35 37 3 38 48 3 42 46 8 42 52 8 45 49 3 46 51 8 46 53 8 47 54 8 47 55 8 51 57 8 53 62 8 54 65 8 55 66 8 57 64 8 50 6 3 62 64 8 65 67 8 66 67 8 68 70 8 68 71 8 70 72 8 71 73 8 72 74 8 73 74 8 $$$$