75215106 -OEChem-05092411432D 140144 0 1 0 0 0 0 0999 V2000 8.8671 1.5551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5991 4.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3312 1.5551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 4.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8626 -5.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1305 -2.9449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5991 0.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7331 1.5551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7286 -2.9449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8626 -1.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3985 -5.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 -0.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6613 6.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.5551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6664 -2.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5991 2.5551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 3.0551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3312 3.0551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2922 4.8870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0632 2.5551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1305 -4.4449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.5551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3985 -3.9449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6664 -4.4449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 5.5551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7331 3.0551 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7331 4.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8671 4.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4651 2.5551 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8671 2.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 2.5551 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7640 5.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1972 3.0551 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5991 3.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7855 5.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9593 4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 1.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1972 4.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3312 2.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4651 1.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9965 -3.9449 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1350 3.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4319 6.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8626 -4.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 1.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2645 -4.4449 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4748 6.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0632 4.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9965 -2.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1305 -3.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2645 -5.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1212 7.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.0551 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1427 7.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5991 1.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 1.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0632 5.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9292 4.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1305 -5.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8626 -2.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3985 -4.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 1.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9292 6.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7953 4.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5324 -3.9449 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4030 0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7953 5.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1305 -6.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9965 -5.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5324 -2.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9965 -7.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8626 -5.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8626 -6.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2700 3.3651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3437 3.9475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9451 4.6377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0021 2.2451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1360 2.2451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5380 2.2451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1972 2.4351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4040 3.3651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8314 3.5433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2131 0.9725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6116 1.6628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8681 3.3651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9851 4.6377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5866 3.9475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6772 0.9725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0757 1.6628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6758 4.8201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4596 -3.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6001 2.2451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0385 6.1603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8014 -4.7549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8682 6.8284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6675 -4.7549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7845 -2.3623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3860 -3.0525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.2451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6539 -5.3372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0524 -6.0275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5352 7.7001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 3.3651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9501 8.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9354 -3.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6720 -0.2549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 2.1751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5263 5.8651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9292 3.4351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 3.9475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 4.6377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -1.0649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.3651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9292 6.6751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3322 4.2451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5324 -4.5649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5936 -7.2549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9965 -4.8249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1360 -0.2549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1430 -3.0525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7445 -2.3623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9965 -8.0649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3995 -5.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3995 -7.2549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6664 -5.0649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2034 -4.1349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2655 -2.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 -1.0649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.8651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 5.8651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6613 6.6751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1295 -2.7549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 2 0 0 0 0 2 36 2 0 0 0 0 3 41 2 0 0 0 0 4 44 2 0 0 0 0 5 46 2 0 0 0 0 6 52 2 0 0 0 0 7 57 1 0 0 0 0 7126 1 0 0 0 0 8 57 2 0 0 0 0 9 64 1 0 0 0 0 9134 1 0 0 0 0 10 70 1 0 0 0 0 10135 1 0 0 0 0 11 64 2 0 0 0 0 12 65 2 0 0 0 0 13 72 1 0 0 0 0 13136 1 0 0 0 0 14 73 1 0 0 0 0 14139 1 0 0 0 0 15 70 2 0 0 0 0 16 77 1 0 0 0 0 16140 1 0 0 0 0 17 76 2 0 0 0 0 18 28 1 0 0 0 0 18 36 1 0 0 0 0 18 85 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 19 88 1 0 0 0 0 20 31 1 0 0 0 0 20 41 1 0 0 0 0 20 92 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 97 1 0 0 0 0 22 35 1 0 0 0 0 22 46 1 0 0 0 0 22 99 1 0 0 0 0 23 43 1 0 0 0 0 23 52 1 0 0 0 0 23103 1 0 0 0 0 24 44 1 0 0 0 0 24 55 1 0 0 0 0 24106 1 0 0 0 0 25 48 1 0 0 0 0 25 65 1 0 0 0 0 25112 1 0 0 0 0 26 71 1 0 0 0 0 26132 1 0 0 0 0 26133 1 0 0 0 0 27 76 1 0 0 0 0 27137 1 0 0 0 0 27138 1 0 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 28 81 1 0 0 0 0 29 30 1 0 0 0 0 29 82 1 0 0 0 0 29 83 1 0 0 0 0 30 34 1 0 0 0 0 30 38 2 0 0 0 0 31 36 1 0 0 0 0 31 42 1 0 0 0 0 31 84 1 0 0 0 0 33 39 1 0 0 0 0 33 44 1 0 0 0 0 33 86 1 0 0 0 0 34 37 1 0 0 0 0 34 45 2 0 0 0 0 35 40 1 0 0 0 0 35 41 1 0 0 0 0 35 87 1 0 0 0 0 37 49 2 0 0 0 0 38 89 1 0 0 0 0 39 47 1 0 0 0 0 39 90 1 0 0 0 0 39 91 1 0 0 0 0 40 50 1 0 0 0 0 40 93 1 0 0 0 0 40 94 1 0 0 0 0 42 57 1 0 0 0 0 42 95 1 0 0 0 0 42 96 1 0 0 0 0 43 46 1 0 0 0 0 43 51 1 0 0 0 0 43 98 1 0 0 0 0 45 54 1 0 0 0 0 45100 1 0 0 0 0 47 58 2 0 0 0 0 47 59 1 0 0 0 0 48 52 1 0 0 0 0 48 53 1 0 0 0 0 48101 1 0 0 0 0 49 56 1 0 0 0 0 49102 1 0 0 0 0 50 60 2 0 0 0 0 50 61 1 0 0 0 0 51 64 1 0 0 0 0 51104 1 0 0 0 0 51105 1 0 0 0 0 53 62 1 0 0 0 0 53107 1 0 0 0 0 53108 1 0 0 0 0 54 56 2 0 0 0 0 54109 1 0 0 0 0 55 63 1 0 0 0 0 55 70 1 0 0 0 0 55110 1 0 0 0 0 56111 1 0 0 0 0 58 66 1 0 0 0 0 58113 1 0 0 0 0 59 67 2 0 0 0 0 59114 1 0 0 0 0 60 68 1 0 0 0 0 60115 1 0 0 0 0 61 69 2 0 0 0 0 61116 1 0 0 0 0 62 74 2 0 0 0 0 62 75 1 0 0 0 0 63 76 1 0 0 0 0 63117 1 0 0 0 0 63118 1 0 0 0 0 65 71 1 0 0 0 0 66 72 2 0 0 0 0 66119 1 0 0 0 0 67 72 1 0 0 0 0 67120 1 0 0 0 0 68 73 2 0 0 0 0 68121 1 0 0 0 0 69 73 1 0 0 0 0 69122 1 0 0 0 0 71 77 1 0 0 0 0 71123 1 0 0 0 0 74 78 1 0 0 0 0 74124 1 0 0 0 0 75 79 2 0 0 0 0 75125 1 0 0 0 0 77127 1 0 0 0 0 77128 1 0 0 0 0 78 80 2 0 0 0 0 78129 1 0 0 0 0 79 80 1 0 0 0 0 79130 1 0 0 0 0 80131 1 0 0 0 0 M END > 75215106 > 1 > 2170 > 18 > 16 > 30 > AAADcfB//gAAAAAAAAAAAAAAAAAAAWAAAAAwYMGAAAAAAFgB9AAAHgAQCAAADCzhngY8zvLJkgCoAzX3XACCgCAxIiAI2aG+bJgKdv7C0bOUcAhm9hHY2Ae/yeCOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > 4-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-phenyl-propanoyl]amino]-3-carboxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxo-butanoic acid > 4-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-1-oxo-3-phenylpropyl]amino]-3-carboxy-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-carboxy-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-oxobutanoic acid > 4-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-phenylpropanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoic acid > 4-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-phenylpropanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoic acid > 4-azanyl-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-phenyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanylidene-butanoic acid > 4-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-phenyl-propanoyl]amino]-3-carboxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-keto-butyric acid > InChI=1S/C53H60N10O17/c54-34(26-64)46(72)57-36(18-27-6-2-1-3-7-27)47(73)61-40(23-44(68)69)51(77)59-37(19-28-10-14-31(65)15-11-28)48(74)62-41(24-45(70)71)52(78)60-39(21-30-25-56-35-9-5-4-8-33(30)35)50(76)58-38(20-29-12-16-32(66)17-13-29)49(75)63-42(53(79)80)22-43(55)67/h1-17,25,34,36-42,56,64-66H,18-24,26,54H2,(H2,55,67)(H,57,72)(H,58,76)(H,59,77)(H,60,78)(H,61,73)(H,62,74)(H,63,75)(H,68,69)(H,70,71)(H,79,80) > LGXOUWWDAHUALJ-UHFFFAOYSA-N > -4.1 > 1108.41379048 > C53H60N10O17 > 1109.1 > C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CO)N > C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CO)N > 461 > 1108.41379048 > 0 > 80 > 0 > 8 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 21 37 8 21 38 8 71 26 3 28 29 3 30 34 8 30 38 8 31 42 3 33 39 3 34 37 8 34 45 8 35 40 3 37 49 8 43 51 3 45 54 8 47 58 8 47 59 8 48 53 3 49 56 8 50 60 8 50 61 8 54 56 8 55 63 3 58 66 8 59 67 8 60 68 8 61 69 8 62 74 8 62 75 8 66 72 8 67 72 8 68 73 8 69 73 8 74 78 8 75 79 8 78 80 8 79 80 8 $$$$