75170177 -OEChem-05062400342D 132135 0 1 0 0 0 0 0999 V2000 14.8670 -4.1810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2637 -4.0554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3246 -2.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 0.7423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1957 -1.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7775 -1.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5708 -0.8719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8025 -3.5623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 1.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4454 -1.8675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7310 1.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0882 -0.1727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1421 5.9074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5602 5.8268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 4.6700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0166 4.9118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5528 -2.8986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5098 -2.4862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9280 -2.5668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -1.2844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 2.6434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1312 -0.5851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6282 2.9752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9100 -4.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2207 -3.6429 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.5779 -5.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1992 -3.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.7463 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.2672 -6.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5564 -5.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4884 -2.2800 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6783 -1.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9065 -2.3605 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5743 -3.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 1.8991 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -2.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1562 -3.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 2.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7990 -1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2171 -1.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 -2.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4418 0.3654 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -1.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 3.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2601 -1.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7740 1.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 2.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6067 3.1814 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.1347 -2.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 3.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 3.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0847 2.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4203 0.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9174 4.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8529 4.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8314 4.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4168 2.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0632 2.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2496 4.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7275 3.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3738 3.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7060 3.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3631 -4.3014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5275 -5.0813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6140 -3.7708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7705 -4.7484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7454 -2.3093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 -0.2848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6779 -6.0956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0746 -6.8776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8565 -6.4809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6842 -5.7382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1630 -5.0037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4285 -4.5248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -0.3328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -0.8651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2957 -2.8693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0958 -2.0247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7139 -2.9498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1135 2.4884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 0.3321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 1.4856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5132 2.0179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6298 -3.3519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3875 -3.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.7078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7354 -3.1561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1966 -0.7904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6033 -1.3227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -4.1018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8064 -0.6950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4457 3.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8352 0.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7553 -2.3563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5129 -2.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5245 -0.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2271 1.4017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3914 0.6218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4141 2.5921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.5178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6027 2.8006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9356 3.6722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4643 3.8400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2999 4.6199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3883 -0.6145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1059 4.3404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4388 5.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2142 3.4367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4356 2.3859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8101 2.6766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4772 1.8050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4092 -3.4345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3134 4.2165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9805 3.3448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3377 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7488 6.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1461 6.2883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6026 5.3732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 2 0 0 0 0 2 37 2 0 0 0 0 3 40 2 0 0 0 0 4 41 2 0 0 0 0 5 47 1 0 0 0 0 5119 1 0 0 0 0 6 46 2 0 0 0 0 7 52 2 0 0 0 0 8 58 1 0 0 0 0 8126 1 0 0 0 0 9 55 2 0 0 0 0 10 58 2 0 0 0 0 11 63 1 0 0 0 0 11129 1 0 0 0 0 12 63 2 0 0 0 0 13 67 1 0 0 0 0 13130 1 0 0 0 0 14 70 1 0 0 0 0 14131 1 0 0 0 0 15 70 2 0 0 0 0 16 73 1 0 0 0 0 16132 1 0 0 0 0 17 27 1 0 0 0 0 17 37 1 0 0 0 0 17 78 1 0 0 0 0 18 29 1 0 0 0 0 18 34 1 0 0 0 0 18 89 1 0 0 0 0 19 30 1 0 0 0 0 19 41 1 0 0 0 0 19 92 1 0 0 0 0 20 36 1 0 0 0 0 20 52 1 0 0 0 0 20 98 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21101 1 0 0 0 0 22 40 1 0 0 0 0 22 48 1 0 0 0 0 22102 1 0 0 0 0 23 38 1 0 0 0 0 23 55 1 0 0 0 0 23103 1 0 0 0 0 24 46 1 0 0 0 0 24 49 1 0 0 0 0 24108 1 0 0 0 0 25 57 1 0 0 0 0 25122 1 0 0 0 0 25123 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 74 1 0 0 0 0 26 75 1 0 0 0 0 27 29 1 0 0 0 0 27 76 1 0 0 0 0 28 31 1 0 0 0 0 28 32 1 0 0 0 0 28 77 1 0 0 0 0 30 33 1 0 0 0 0 30 40 1 0 0 0 0 30 79 1 0 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 31 82 1 0 0 0 0 32 83 1 0 0 0 0 32 84 1 0 0 0 0 32 85 1 0 0 0 0 33 35 1 0 0 0 0 33 86 1 0 0 0 0 33 87 1 0 0 0 0 34 42 1 0 0 0 0 34 46 1 0 0 0 0 34 88 1 0 0 0 0 35 39 1 0 0 0 0 35 45 2 0 0 0 0 36 37 1 0 0 0 0 36 47 1 0 0 0 0 36 90 1 0 0 0 0 38 41 1 0 0 0 0 38 43 1 0 0 0 0 38 91 1 0 0 0 0 39 44 1 0 0 0 0 39 50 2 0 0 0 0 42 58 1 0 0 0 0 42 95 1 0 0 0 0 42 96 1 0 0 0 0 43 51 1 0 0 0 0 43 93 1 0 0 0 0 43 94 1 0 0 0 0 44 53 2 0 0 0 0 45 97 1 0 0 0 0 47 99 1 0 0 0 0 47100 1 0 0 0 0 48 52 1 0 0 0 0 48105 1 0 0 0 0 48106 1 0 0 0 0 49 54 1 0 0 0 0 49 63 1 0 0 0 0 49104 1 0 0 0 0 50 56 1 0 0 0 0 50107 1 0 0 0 0 51 60 2 0 0 0 0 51 61 1 0 0 0 0 53 59 1 0 0 0 0 53109 1 0 0 0 0 54 62 1 0 0 0 0 54110 1 0 0 0 0 54111 1 0 0 0 0 55 57 1 0 0 0 0 56 59 2 0 0 0 0 56112 1 0 0 0 0 57 64 1 0 0 0 0 57113 1 0 0 0 0 59114 1 0 0 0 0 60 65 1 0 0 0 0 60115 1 0 0 0 0 61 66 2 0 0 0 0 61116 1 0 0 0 0 62 68 2 0 0 0 0 62 69 1 0 0 0 0 64 70 1 0 0 0 0 64117 1 0 0 0 0 64118 1 0 0 0 0 65 67 2 0 0 0 0 65120 1 0 0 0 0 66 67 1 0 0 0 0 66121 1 0 0 0 0 68 71 1 0 0 0 0 68124 1 0 0 0 0 69 72 2 0 0 0 0 69125 1 0 0 0 0 71 73 2 0 0 0 0 71127 1 0 0 0 0 72 73 1 0 0 0 0 72128 1 0 0 0 0 M END > 75170177 > 1 > 1930 > 17 > 15 > 28 > AAADcfB//gAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAQCAAADSzhngY+zvLJkgCoAzX3XACCgCAxIiAI2aG+bJgKdv7CkbOUcAhm9hHY2Ae/yeCOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > 3-amino-4-[[2-[[2-[[2-[[2-[[1-[[2-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-4-oxo-butanoic acid > 3-amino-4-[[1-[[1-[[2-[[1-[[1-[[3-carboxy-1-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid > 3-amino-4-[[1-[[1-[[2-[[1-[[1-[[3-carboxy-1-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid > 3-amino-4-[[1-[[1-[[2-[[1-[[1-[[3-carboxy-1-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid > 3-azanyl-4-[[3-(4-hydroxyphenyl)-1-[[1-[[2-[[1-[[1-[[1-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid > 3-amino-4-[[2-[[2-[[2-[[2-[[1-[[2-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-(carboxymethyl)-2-keto-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-1-methylol-ethyl]amino]-2-keto-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-4-keto-butyric acid > InChI=1S/C48H59N9O16/c1-24(2)15-33(44(68)56-36(20-41(64)65)46(70)57-37(48(72)73)17-26-9-13-29(60)14-10-26)54-47(71)38(23-58)52-39(61)22-51-43(67)35(18-27-21-50-32-6-4-3-5-30(27)32)55-45(69)34(16-25-7-11-28(59)12-8-25)53-42(66)31(49)19-40(62)63/h3-14,21,24,31,33-38,50,58-60H,15-20,22-23,49H2,1-2H3,(H,51,67)(H,52,61)(H,53,66)(H,54,71)(H,55,69)(H,56,68)(H,57,70)(H,62,63)(H,64,65)(H,72,73) > JXUUCFCMLWNIML-UHFFFAOYSA-N > -2.6 > 1017.40797683 > C48H59N9O16 > 1018.0 > CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CO)NC(=O)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC(=O)O)N > CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CO)NC(=O)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC(=O)O)N > 418 > 1017.40797683 > 0 > 73 > 0 > 7 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 21 44 8 21 45 8 57 25 3 27 26 3 30 33 3 34 42 3 35 39 8 35 45 8 36 47 3 38 43 3 39 44 8 39 50 8 44 53 8 49 54 3 50 56 8 51 60 8 51 61 8 53 59 8 56 59 8 60 65 8 61 66 8 62 68 8 62 69 8 65 67 8 66 67 8 68 71 8 69 72 8 71 73 8 72 73 8 $$$$