73228675 -OEChem-05052403082D 137141 0 1 0 0 0 0 0999 V2000 15.5263 1.8651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0577 -5.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7942 4.3651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3256 -2.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 1.8651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 4.3651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9237 -2.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5936 -5.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 0.3651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.3651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8615 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 1.8651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9237 -7.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.3651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2583 2.8651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5263 3.3651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.8332 5.1970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3256 -4.1349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7942 2.8651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 3.3651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5936 -3.6349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0577 -1.1349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8615 -4.1349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3923 3.3651 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.3923 4.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2583 4.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1917 -3.6349 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.3614 5.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5263 2.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6603 2.8651 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.0577 -4.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9282 3.3651 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.3399 6.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1661 4.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4596 -4.1349 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.1917 -2.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9282 4.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7942 3.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3256 -3.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6935 6.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4596 -5.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 2.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 2.8651 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.6603 1.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6506 7.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 4.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0042 7.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9827 7.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3256 -5.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 1.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 3.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0577 -2.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.3651 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.5936 -4.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 5.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1962 4.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7276 -3.6349 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.1917 -5.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3256 -6.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 1.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1962 6.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3301 4.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7276 -2.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0577 -5.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1917 -7.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3301 5.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0577 -6.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 6.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3923 2.7451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1803 4.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7817 4.2575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7953 2.5551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6547 -3.3249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1972 2.5551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4651 3.6751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2940 3.8533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0632 3.6751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9227 -4.4449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9796 -2.0523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5811 -2.7425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4496 5.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8626 -4.4449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5388 4.2575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1403 4.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3312 2.5551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0869 6.4703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8490 -5.0272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2476 -5.7175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 2.5551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0403 1.8651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6603 1.2451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2803 1.8651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2572 7.1384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5991 3.6751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1305 -3.3249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5901 8.0101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1753 8.3442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4082 1.2825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8067 1.9728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.6751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.5551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 4.2575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 4.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5991 6.1751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1962 3.7451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1906 -3.3249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1917 -4.5149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7887 -6.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1962 6.9851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7932 4.5551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5946 -0.8249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5208 -0.8249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3381 -2.7425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9396 -2.0523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5946 -5.3249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1917 -7.7549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7932 6.1751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8615 -4.7549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3985 -3.8249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.7451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 6.1751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 4.5551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 6.9851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7932 0.0551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.0551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3246 -2.4449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9237 -7.7549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.9851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 2 0 0 0 0 2 33 2 0 0 0 0 3 40 2 0 0 0 0 4 41 2 0 0 0 0 5 44 2 0 0 0 0 6 53 2 0 0 0 0 7 54 2 0 0 0 0 8 56 2 0 0 0 0 9 64 1 0 0 0 0 9133 1 0 0 0 0 10 67 1 0 0 0 0 10134 1 0 0 0 0 11 68 1 0 0 0 0 11135 1 0 0 0 0 12 64 2 0 0 0 0 13 67 2 0 0 0 0 14 72 1 0 0 0 0 14136 1 0 0 0 0 15 77 1 0 0 0 0 15137 1 0 0 0 0 16 26 1 0 0 0 0 16 33 1 0 0 0 0 16 81 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 86 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 90 1 0 0 0 0 19 29 1 0 0 0 0 19 41 1 0 0 0 0 19 91 1 0 0 0 0 20 34 1 0 0 0 0 20 40 1 0 0 0 0 20 94 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21103 1 0 0 0 0 22 37 1 0 0 0 0 22 56 1 0 0 0 0 22104 1 0 0 0 0 23 53 1 0 0 0 0 23 55 1 0 0 0 0 23110 1 0 0 0 0 24 54 1 0 0 0 0 24120 1 0 0 0 0 24121 1 0 0 0 0 25 60 1 0 0 0 0 25127 1 0 0 0 0 25128 1 0 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 26 78 1 0 0 0 0 27 28 1 0 0 0 0 27 79 1 0 0 0 0 27 80 1 0 0 0 0 28 30 1 0 0 0 0 28 36 2 0 0 0 0 29 33 1 0 0 0 0 29 38 1 0 0 0 0 29 82 1 0 0 0 0 30 35 1 0 0 0 0 30 42 2 0 0 0 0 32 40 1 0 0 0 0 32 46 1 0 0 0 0 32 83 1 0 0 0 0 34 39 1 0 0 0 0 34 44 1 0 0 0 0 34 84 1 0 0 0 0 35 47 2 0 0 0 0 36 85 1 0 0 0 0 37 41 1 0 0 0 0 37 43 1 0 0 0 0 37 87 1 0 0 0 0 38 54 1 0 0 0 0 38 88 1 0 0 0 0 38 89 1 0 0 0 0 39 48 1 0 0 0 0 39 92 1 0 0 0 0 39 93 1 0 0 0 0 42 49 1 0 0 0 0 42 95 1 0 0 0 0 43 51 1 0 0 0 0 43 96 1 0 0 0 0 43 97 1 0 0 0 0 45 52 1 0 0 0 0 45 53 1 0 0 0 0 45 98 1 0 0 0 0 46 99 1 0 0 0 0 46100 1 0 0 0 0 46101 1 0 0 0 0 47 50 1 0 0 0 0 47102 1 0 0 0 0 48 58 2 0 0 0 0 48 59 1 0 0 0 0 49 50 2 0 0 0 0 49105 1 0 0 0 0 50106 1 0 0 0 0 51 61 2 0 0 0 0 51 62 1 0 0 0 0 52 64 1 0 0 0 0 52107 1 0 0 0 0 52108 1 0 0 0 0 55 57 1 0 0 0 0 55 67 1 0 0 0 0 55109 1 0 0 0 0 56 60 1 0 0 0 0 57 63 1 0 0 0 0 57111 1 0 0 0 0 57112 1 0 0 0 0 58 65 1 0 0 0 0 58113 1 0 0 0 0 59 66 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 1 0 0 0 0 61116 1 0 0 0 0 62 70 2 0 0 0 0 62117 1 0 0 0 0 63 73 2 0 0 0 0 63 74 1 0 0 0 0 65 71 2 0 0 0 0 65118 1 0 0 0 0 66 71 1 0 0 0 0 66119 1 0 0 0 0 68122 1 0 0 0 0 68123 1 0 0 0 0 69 72 2 0 0 0 0 69124 1 0 0 0 0 70 72 1 0 0 0 0 70125 1 0 0 0 0 71126 1 0 0 0 0 73 75 1 0 0 0 0 73129 1 0 0 0 0 74 76 2 0 0 0 0 74130 1 0 0 0 0 75 77 2 0 0 0 0 75131 1 0 0 0 0 76 77 1 0 0 0 0 76132 1 0 0 0 0 M END > 73228675 > 1 > 2050 > 16 > 15 > 28 > AAADcfB//AAAAAAAAAAAAAAAAAAAAWAAAAAwYMGAAAAAAFgB9AAAHgAQCAAADCzhngY+zvLJkgCoAzX3XACCgCAxIiAI2aG+bJgKdv7C0bOUcAhm9hHY2Ae/yeCOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > 3-[[2-[2-[[2-[[4-amino-2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-3-phenyl-propanoyl]amino]-4-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-oxo-butanoic acid > 3-[[2-[[2-[[2-[[4-amino-2-[[2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-4-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-oxobutanoic acid > 3-[[2-[2-[[2-[[4-amino-2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-4-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-oxobutanoic acid > 3-[[2-[2-[[2-[[4-amino-2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-4-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-oxobutanoic acid > 3-[[2-[2-[[2-[[4-azanyl-2-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-3-phenyl-propanoyl]amino]-4-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid > 3-[[2-[2-[[2-[[4-amino-2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-keto-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-3-phenyl-propanoyl]amino]-4-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-keto-butyric acid > InChI=1S/C52H60N10O15/c1-27(45(69)57-37(19-28-7-3-2-4-8-28)48(72)61-41(24-44(67)68)51(75)62-42(52(76)77)21-30-13-17-33(65)18-14-30)56-47(71)39(22-31-25-55-36-10-6-5-9-34(31)36)59-50(74)40(23-43(54)66)60-49(73)38(58-46(70)35(53)26-63)20-29-11-15-32(64)16-12-29/h2-18,25,27,35,37-42,55,63-65H,19-24,26,53H2,1H3,(H2,54,66)(H,56,71)(H,57,69)(H,58,70)(H,59,74)(H,60,73)(H,61,72)(H,62,75)(H,67,68)(H,76,77) > PWWTUUHPUMFAHS-UHFFFAOYSA-N > -3.2 > 1064.42396125 > C52H60N10O15 > 1065.1 > CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC(=O)N)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CO)N > CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC(=O)N)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CO)N > 424 > 1064.42396125 > 0 > 77 > 0 > 8 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 18 35 8 18 36 8 60 25 3 26 27 3 28 30 8 28 36 8 29 38 3 30 35 8 30 42 8 32 46 3 34 39 3 35 47 8 37 43 3 42 49 8 45 52 3 47 50 8 48 58 8 48 59 8 49 50 8 51 61 8 51 62 8 55 57 3 58 65 8 59 66 8 61 69 8 62 70 8 63 73 8 63 74 8 65 71 8 66 71 8 69 72 8 70 72 8 73 75 8 74 76 8 75 77 8 76 77 8 $$$$