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0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.3088 23.8628 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6320 21.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3623 20.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4531 20.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3114 26.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3770 24.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2507 27.9779 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.7043 21.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7137 26.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1411 20.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9739 22.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1735 25.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1765 27.9779 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.8523 28.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9327 24.2021 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5502 25.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1521 19.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2136 28.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9536 24.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1408 20.6408 0.0000 C 0 0 0 0 0 0 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14.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5899 10.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 15.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5899 11.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 13.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7239 9.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 15.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4559 11.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 15.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7239 11.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 16.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7239 12.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 16.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4559 12.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 17.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5899 13.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 12.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7239 8.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 14.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8578 10.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 12.8486 0.0000 C 0 0 0 0 0 0 0 0 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84173 1 0 0 0 0 84174 1 0 0 0 0 85175 1 0 0 0 0 85176 1 0 0 0 0 86 90 1 0 0 0 0 86 92 1 0 0 0 0 86178 1 0 0 0 0 87 93 1 0 0 0 0 87179 1 0 0 0 0 88 94 2 0 0 0 0 88180 1 0 0 0 0 89181 1 0 0 0 0 89182 1 0 0 0 0 91183 1 0 0 0 0 91184 1 0 0 0 0 92 97 1 0 0 0 0 92187 1 0 0 0 0 92188 1 0 0 0 0 93 95 2 0 0 0 0 93192 1 0 0 0 0 94 95 1 0 0 0 0 94193 1 0 0 0 0 95196 1 0 0 0 0 96 98 1 0 0 0 0 96 99 1 0 0 0 0 96197 1 0 0 0 0 97198 1 0 0 0 0 97199 1 0 0 0 0 99100 1 0 0 0 0 99202 1 0 0 0 0 99203 1 0 0 0 0 100205 1 0 0 0 0 100206 1 0 0 0 0 101211 1 0 0 0 0 102104 1 0 0 0 0 102106 1 0 0 0 0 102212 1 0 0 0 0 102213 1 0 0 0 0 103105 1 0 0 0 0 103107 1 0 0 0 0 103214 1 0 0 0 0 103215 1 0 0 0 0 104108 2 0 0 0 0 104110 1 0 0 0 0 105109 2 0 0 0 0 105111 1 0 0 0 0 106118 1 0 0 0 0 106120 2 0 0 0 0 107119 1 0 0 0 0 107121 2 0 0 0 0 108114 1 0 0 0 0 108216 1 0 0 0 0 109115 1 0 0 0 0 109217 1 0 0 0 0 110112 2 0 0 0 0 110218 1 0 0 0 0 111113 2 0 0 0 0 111219 1 0 0 0 0 112116 1 0 0 0 0 113117 1 0 0 0 0 114116 2 0 0 0 0 115117 2 0 0 0 0 120220 1 0 0 0 0 121221 1 0 0 0 0 124226 1 0 0 0 0 124227 1 0 0 0 0 124228 1 0 0 0 0 125229 1 0 0 0 0 125230 1 0 0 0 0 125231 1 0 0 0 0 126232 1 0 0 0 0 126233 1 0 0 0 0 126234 1 0 0 0 0 127235 1 0 0 0 0 127236 1 0 0 0 0 127237 1 0 0 0 0 128238 1 0 0 0 0 128239 1 0 0 0 0 128240 1 0 0 0 0 129241 1 0 0 0 0 129242 1 0 0 0 0 129243 1 0 0 0 0 M END > 24848162 > 1 > 2320 > 40 > 26 > 35 > AAADcfB//gBgAAAAAAAAAAAAAAAAAAAAAAA8eMECAAAAAAAB9AAAHgAQCAAADSzhmgY/tpbIFoCoAjN39DCCiCkxIKAJ2KGuzJiNf7LE+XuUdCov1hfK6Ce+6PyOIAABCAAAQABAAAIQAACAAAAAAAAAAA== > 4-amino-N-[1-[[3-amino-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(2-hydroxyethyl)-12-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]carbamoyl]propyl]carbamoyl]-3-hydroxy-propyl]-2-formamido-butanamide;sulfuric acid;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine > 4-amino-N-[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(2-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-15-(phenylmethyl)-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-4-hydroxy-1-oxobutan-2-yl]-2-formamidobutanamide;sulfuric acid;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine > 4-amino-N-[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(2-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-4-hydroxy-1-oxobutan-2-yl]-2-formamidobutanamide;sulfuric acid;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine > 4-amino-N-[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(2-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-4-hydroxy-1-oxobutan-2-yl]-2-formamidobutanamide;sulfuric acid;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine > 4-azanyl-N-[1-[[4-azanyl-1-oxidanylidene-1-[[6,9,18-tris(2-azanylethyl)-3-(2-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptakis(oxidanylidene)-15-(phenylmethyl)-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-4-oxidanyl-1-oxidanylidene-butan-2-yl]-2-formamido-butanamide;sulfuric acid;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine > 4-amino-N-[1-[[3-amino-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(2-hydroxyethyl)-12-isobutyl-2,5,8,11,14,17,20-heptaketo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]carbamoyl]propyl]carbamoyl]-3-hydroxy-propyl]-2-formamido-butyramide;[2-amino-5-(3,4,5-trimethoxybenzyl)pyrimidin-4-yl]amine;sulfuric acid > InChI=1S/C48H82N16O13.2C14H18N4O3.2H2O4S/c1-27(2)24-37-47(76)59-32(11-19-52)41(70)56-31(10-18-51)43(72)61-35(14-22-65)39(68)54-21-13-34(45(74)57-33(12-20-53)44(73)64-38(48(77)63-37)25-28-6-4-3-5-7-28)60-42(71)30(9-17-50)58-46(75)36(15-23-66)62-40(69)29(8-16-49)55-26-67;2*1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;2*1-5(2,3)4/h3-7,26-27,29-38,65-66H,8-25,49-53H2,1-2H3,(H,54,68)(H,55,67)(H,56,70)(H,57,74)(H,58,75)(H,59,76)(H,60,71)(H,61,72)(H,62,69)(H,63,77)(H,64,73);2*5-7H,4H2,1-3H3,(H4,15,16,17,18);2*(H2,1,2,3,4) > RMEIFQXKKKZTLB-UHFFFAOYSA-N > 1866.8352671 > C76H122N24O27S2 > 1868.1 > CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)CCN)NC(=O)C(CCN)NC(=O)C(CCO)NC(=O)C(CCN)NC=O)CCO)CCN)CCN.COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N.COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N.OS(=O)(=O)O.OS(=O)(=O)O > CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)CCN)NC(=O)C(CCN)NC(=O)C(CCO)NC(=O)C(CCN)NC=O)CCO)CCN)CCN.COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N.COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N.OS(=O)(=O)O.OS(=O)(=O)O > 868 > 1866.8352671 > 0 > 129 > 0 > 10 > 0 > 0 > 0 > 5 > -1 > 1 5 255 > 104 108 8 104 110 8 105 109 8 105 111 8 106 118 8 106 120 8 107 119 8 107 121 8 108 114 8 109 115 8 110 112 8 111 113 8 112 116 8 113 117 8 114 116 8 115 117 8 62 35 3 46 118 8 46 122 8 47 119 8 47 123 8 48 120 8 48 122 8 49 121 8 49 123 8 54 55 3 57 65 3 58 66 3 61 71 3 68 75 3 74 82 3 76 84 3 78 87 8 78 88 8 86 92 3 87 93 8 88 94 8 93 95 8 94 95 8 96 99 3 $$$$