73159988 -OEChem-05112407102D 108111 0 1 0 0 0 0 0999 V2000 6.3246 -4.9205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -1.7371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 1.3207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8529 2.2712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4312 4.5847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7634 5.3290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6067 0.7020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6388 -6.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 -0.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9925 -5.6648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9315 -7.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -2.2752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 -0.3741 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -3.7638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 1.7331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -5.9919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4742 4.1722 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4277 6.8176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -3.2257 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9889 -3.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 -0.5803 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1886 0.7826 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -4.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -3.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -1.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 0.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -5.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 0.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 -4.5081 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1421 3.4280 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1385 5.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1170 5.8671 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8314 2.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2601 -4.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8349 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7849 5.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1206 3.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4707 6.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8279 4.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9280 -5.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 -0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9710 -5.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5028 -0.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1456 1.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9065 -4.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6173 -5.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4813 -0.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1241 1.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7920 0.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5743 -5.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2852 -6.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2637 -6.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 -2.7642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -2.8122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -3.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1135 0.0090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7745 1.2441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 -2.1473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3301 -0.2893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0877 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3135 -0.8356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -5.1872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7794 0.4916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0218 0.7392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4742 -3.9188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5354 3.3001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5319 5.5330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7237 5.9949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8064 -3.1745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1059 1.8610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -6.5812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7865 -3.9742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0289 -3.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8676 4.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.8072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1412 3.0145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7344 3.5468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9322 6.8192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0566 6.8666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0092 5.9911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2386 4.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6353 4.1210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4172 4.5177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.3772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.9972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0136 7.2791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0344 6.9454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3102 -1.0891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7315 1.6565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0991 -4.2506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0106 -6.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8954 -0.7550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3167 1.9906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3986 0.7848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0379 4.7126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1810 -5.4564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0926 -7.3303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.5742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4462 -6.7922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5382 -7.1512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 2 0 0 0 0 2 26 2 0 0 0 0 3 30 2 0 0 0 0 4 36 2 0 0 0 0 5 42 1 0 0 0 0 5103 1 0 0 0 0 6 40 2 0 0 0 0 7 48 1 0 0 0 0 7106 1 0 0 0 0 8 49 1 0 0 0 0 8107 1 0 0 0 0 9 48 2 0 0 0 0 10 49 2 0 0 0 0 11 59 1 0 0 0 0 11108 1 0 0 0 0 12 19 1 0 0 0 0 12 26 1 0 0 0 0 12 65 1 0 0 0 0 13 22 1 0 0 0 0 13 30 1 0 0 0 0 13 68 1 0 0 0 0 14 25 1 0 0 0 0 14 32 1 0 0 0 0 14 76 1 0 0 0 0 15 23 1 0 0 0 0 15 36 1 0 0 0 0 15 77 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 78 1 0 0 0 0 17 33 1 0 0 0 0 17 40 1 0 0 0 0 17 82 1 0 0 0 0 18 35 1 0 0 0 0 18 94 1 0 0 0 0 18 95 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 19 60 1 0 0 0 0 20 21 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 21 24 1 0 0 0 0 21 29 2 0 0 0 0 22 26 1 0 0 0 0 22 31 1 0 0 0 0 22 63 1 0 0 0 0 23 27 1 0 0 0 0 23 30 1 0 0 0 0 23 64 1 0 0 0 0 24 28 1 0 0 0 0 24 38 2 0 0 0 0 27 39 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 41 2 0 0 0 0 29 69 1 0 0 0 0 31 48 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 32 37 1 0 0 0 0 32 49 1 0 0 0 0 32 72 1 0 0 0 0 33 36 1 0 0 0 0 33 42 1 0 0 0 0 33 73 1 0 0 0 0 34 35 1 0 0 0 0 34 43 1 0 0 0 0 34 44 1 0 0 0 0 34 74 1 0 0 0 0 35 40 1 0 0 0 0 35 75 1 0 0 0 0 37 46 1 0 0 0 0 37 79 1 0 0 0 0 37 80 1 0 0 0 0 38 45 1 0 0 0 0 38 81 1 0 0 0 0 39 50 2 0 0 0 0 39 51 1 0 0 0 0 41 47 1 0 0 0 0 41 83 1 0 0 0 0 42 84 1 0 0 0 0 42 85 1 0 0 0 0 43 86 1 0 0 0 0 43 87 1 0 0 0 0 43 88 1 0 0 0 0 44 89 1 0 0 0 0 44 90 1 0 0 0 0 44 91 1 0 0 0 0 45 47 2 0 0 0 0 45 92 1 0 0 0 0 46 52 2 0 0 0 0 46 53 1 0 0 0 0 47 93 1 0 0 0 0 50 54 1 0 0 0 0 50 96 1 0 0 0 0 51 55 2 0 0 0 0 51 97 1 0 0 0 0 52 57 1 0 0 0 0 52 98 1 0 0 0 0 53 58 2 0 0 0 0 53 99 1 0 0 0 0 54 56 2 0 0 0 0 54100 1 0 0 0 0 55 56 1 0 0 0 0 55101 1 0 0 0 0 56102 1 0 0 0 0 57 59 2 0 0 0 0 57104 1 0 0 0 0 58 59 1 0 0 0 0 58105 1 0 0 0 0 M END > 73159988 > 1 > 1450 > 12 > 11 > 21 > AAADcfB/vAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAQCAAADSzhngY+zvLJkgCoAzX3XACCgCAxIiAI2aG+bJgKdv7CkbOUcAhm9hHY2Ae/yeCOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > 3-[[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-[[2-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid > 3-[[2-[[2-[(2-amino-3-methyl-1-oxobutyl)amino]-3-hydroxy-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-4-[[1-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid > 3-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-[[1-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid > 3-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-[[1-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid > 3-[[2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-[[1-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid > 3-[[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-[[2-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-4-keto-butyric acid > InChI=1S/C41H49N7O11/c1-22(2)35(42)40(57)48-33(21-49)39(56)44-29(16-23-8-4-3-5-9-23)36(53)46-31(19-34(51)52)38(55)45-30(18-25-20-43-28-11-7-6-10-27(25)28)37(54)47-32(41(58)59)17-24-12-14-26(50)15-13-24/h3-15,20,22,29-33,35,43,49-50H,16-19,21,42H2,1-2H3,(H,44,56)(H,45,55)(H,46,53)(H,47,54)(H,48,57)(H,51,52)(H,58,59) > SJPCBBSIVAVORR-UHFFFAOYSA-N > -1.5 > 815.34900540 > C41H49N7O11 > 815.9 > CC(C)C(C(=O)NC(CO)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)O)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)O)N > CC(C)C(C(=O)NC(CO)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)O)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)O)N > 302 > 815.34900540 > 0 > 59 > 0 > 6 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 16 28 8 16 29 8 35 18 3 19 20 3 21 24 8 21 29 8 22 31 3 23 27 3 24 28 8 24 38 8 28 41 8 32 37 3 33 42 3 38 45 8 39 50 8 39 51 8 41 47 8 45 47 8 46 52 8 46 53 8 50 54 8 51 55 8 52 57 8 53 58 8 54 56 8 55 56 8 57 59 8 58 59 8 $$$$