73159923 -OEChem-05122405372D 109112 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 12.7705 0.8632 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 7.2101 0.5764 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 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 7.1170 5.8671 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 7.8314 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 10.1456 1.1950 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 10.9065 -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 11.1241 1.4013 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 11.7920 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 7.7237 5.9949 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 7.8064 -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 9.7315 1.6565 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 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 11.3167 1.9906 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 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 13.1845 0.4017 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 26 2 0 0 0 0 2 27 2 0 0 0 0 3 30 2 0 0 0 0 4 37 2 0 0 0 0 5 43 1 0 0 0 0 5103 1 0 0 0 0 6 41 2 0 0 0 0 7 49 1 0 0 0 0 7106 1 0 0 0 0 8 50 1 0 0 0 0 8107 1 0 0 0 0 9 49 2 0 0 0 0 10 50 2 0 0 0 0 11 57 1 0 0 0 0 11108 1 0 0 0 0 12 60 1 0 0 0 0 12109 1 0 0 0 0 13 20 1 0 0 0 0 13 27 1 0 0 0 0 13 66 1 0 0 0 0 14 23 1 0 0 0 0 14 30 1 0 0 0 0 14 69 1 0 0 0 0 15 26 1 0 0 0 0 15 33 1 0 0 0 0 15 77 1 0 0 0 0 16 24 1 0 0 0 0 16 37 1 0 0 0 0 16 78 1 0 0 0 0 17 29 1 0 0 0 0 17 31 1 0 0 0 0 17 79 1 0 0 0 0 18 34 1 0 0 0 0 18 41 1 0 0 0 0 18 83 1 0 0 0 0 19 35 1 0 0 0 0 19 95 1 0 0 0 0 19 96 1 0 0 0 0 20 21 1 0 0 0 0 20 26 1 0 0 0 0 20 61 1 0 0 0 0 21 22 1 0 0 0 0 21 62 1 0 0 0 0 21 63 1 0 0 0 0 22 25 1 0 0 0 0 22 31 2 0 0 0 0 23 27 1 0 0 0 0 23 32 1 0 0 0 0 23 64 1 0 0 0 0 24 28 1 0 0 0 0 24 30 1 0 0 0 0 24 65 1 0 0 0 0 25 29 1 0 0 0 0 25 39 2 0 0 0 0 28 40 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 29 42 2 0 0 0 0 31 70 1 0 0 0 0 32 49 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 33 38 1 0 0 0 0 33 50 1 0 0 0 0 33 73 1 0 0 0 0 34 37 1 0 0 0 0 34 43 1 0 0 0 0 34 74 1 0 0 0 0 35 36 1 0 0 0 0 35 41 1 0 0 0 0 35 75 1 0 0 0 0 36 44 1 0 0 0 0 36 45 1 0 0 0 0 36 76 1 0 0 0 0 38 47 1 0 0 0 0 38 80 1 0 0 0 0 38 81 1 0 0 0 0 39 46 1 0 0 0 0 39 82 1 0 0 0 0 40 51 2 0 0 0 0 40 52 1 0 0 0 0 42 48 1 0 0 0 0 42 84 1 0 0 0 0 43 85 1 0 0 0 0 43 86 1 0 0 0 0 44 87 1 0 0 0 0 44 88 1 0 0 0 0 44 89 1 0 0 0 0 45 90 1 0 0 0 0 45 91 1 0 0 0 0 45 92 1 0 0 0 0 46 48 2 0 0 0 0 46 93 1 0 0 0 0 47 53 2 0 0 0 0 47 54 1 0 0 0 0 48 94 1 0 0 0 0 51 55 1 0 0 0 0 51 97 1 0 0 0 0 52 56 2 0 0 0 0 52 98 1 0 0 0 0 53 58 1 0 0 0 0 53 99 1 0 0 0 0 54 59 2 0 0 0 0 54100 1 0 0 0 0 55 57 2 0 0 0 0 55101 1 0 0 0 0 56 57 1 0 0 0 0 56102 1 0 0 0 0 58 60 2 0 0 0 0 58104 1 0 0 0 0 59 60 1 0 0 0 0 59105 1 0 0 0 0 M END > 73159923 > 1 > 1490 > 13 > 12 > 21 > AAADcfB/vAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAQCAAADSzhngY+zvLJkgCoAzX3XACCgCAxIiAI2aG+bJgKdv7CkbOUcAhm9hHY2Ae/yeCOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > 3-[[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)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]-3-(4-hydroxyphenyl)-1-oxopropyl]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-(4-hydroxyphenyl)propanoyl]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-(4-hydroxyphenyl)propanoyl]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-(4-hydroxyphenyl)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-(4-hydroxyphenyl)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/C41H49N7O12/c1-21(2)35(42)40(58)48-33(20-49)39(57)44-29(15-22-7-11-25(50)12-8-22)36(54)46-31(18-34(52)53)38(56)45-30(17-24-19-43-28-6-4-3-5-27(24)28)37(55)47-32(41(59)60)16-23-9-13-26(51)14-10-23/h3-14,19,21,29-33,35,43,49-51H,15-18,20,42H2,1-2H3,(H,44,57)(H,45,56)(H,46,54)(H,47,55)(H,48,58)(H,52,53)(H,59,60) > RQSAPGRXNMJVBV-UHFFFAOYSA-N > -1.9 > 831.34392002 > C41H49N7O12 > 831.9 > CC(C)C(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)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=C(C=C1)O)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 > 323 > 831.34392002 > 0 > 60 > 0 > 6 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 29 8 17 31 8 35 19 3 20 21 3 22 25 8 22 31 8 23 32 3 24 28 3 25 29 8 25 39 8 29 42 8 33 38 3 34 43 3 39 46 8 40 51 8 40 52 8 42 48 8 46 48 8 47 53 8 47 54 8 51 55 8 52 56 8 53 58 8 54 59 8 55 57 8 56 57 8 58 60 8 59 60 8 $$$$