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0 0 226438 1 0 0 0 0 227443 1 0 0 0 0 227444 1 0 0 0 0 229236 1 0 0 0 0 229237 1 0 0 0 0 229445 1 0 0 0 0 230232 1 0 0 0 0 230446 1 0 0 0 0 230447 1 0 0 0 0 231238 1 0 0 0 0 231448 1 0 0 0 0 232233 1 0 0 0 0 232449 1 0 0 0 0 234455 1 0 0 0 0 234456 1 0 0 0 0 234457 1 0 0 0 0 236243 1 0 0 0 0 236458 1 0 0 0 0 236459 1 0 0 0 0 238461 1 0 0 0 0 238462 1 0 0 0 0 238463 1 0 0 0 0 240242 1 0 0 0 0 241247 1 0 0 0 0 241248 1 0 0 0 0 241468 1 0 0 0 0 242250 1 0 0 0 0 242470 1 0 0 0 0 244251 1 0 0 0 0 244252 1 0 0 0 0 244471 1 0 0 0 0 245246 1 0 0 0 0 246472 1 0 0 0 0 246473 1 0 0 0 0 248476 1 0 0 0 0 248477 1 0 0 0 0 248478 1 0 0 0 0 249253 1 0 0 0 0 249254 1 0 0 0 0 249479 1 0 0 0 0 250259 1 0 0 0 0 250480 1 0 0 0 0 250481 1 0 0 0 0 251261 1 0 0 0 0 251482 1 0 0 0 0 251483 1 0 0 0 0 253255 1 0 0 0 0 253487 1 0 0 0 0 253488 1 0 0 0 0 255263 1 0 0 0 0 255264 1 0 0 0 0 255490 1 0 0 0 0 256260 1 0 0 0 0 256262 1 0 0 0 0 256491 1 0 0 0 0 257258 1 0 0 0 0 258265 1 0 0 0 0 258494 1 0 0 0 0 260266 1 0 0 0 0 260495 1 0 0 0 0 260496 1 0 0 0 0 263498 1 0 0 0 0 263499 1 0 0 0 0 263500 1 0 0 0 0 264501 1 0 0 0 0 264502 1 0 0 0 0 264503 1 0 0 0 0 265504 1 0 0 0 0 265505 1 0 0 0 0 266267 1 0 0 0 0 266506 1 0 0 0 0 266507 1 0 0 0 0 267508 1 0 0 0 0 267509 1 0 0 0 0 M END > 16133259 > 1 > 9430 > 65 > 58 > 50 > AAADcfB//gBwAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAAABQAAAHgQQCAAADTzl2AazDoPAAgCoAiHSOAACAACgIAAJiIGOCIiKdj6C2TOUcAAm9hOYmAe/36KOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > 3-[34-(4-aminobutyl)-40-(2-amino-2-oxo-ethyl)-58-benzyl-10,13,22,46-tetrakis(carboxymethyl)-16,37,76-tris(3-guanidinopropyl)-4,55,70,97-tetrakis(1-hydroxyethyl)-3a,19-bis(hydroxymethyl)-a-[(4-hydroxyphenyl)methyl]-12a,28-diisobutyl-79,91-diisopropyl-6a,9a-dimethyl-1a,2,4a,5,7a,8,10a,11,13a,14,16a,17,20,23,26,29,32,35,38,41,44,47,53,56,59,62,65,68,71,74,77,80,83,89,92,95,98-heptatriacontaoxo-82-sec-butyl-19a,20a,23a,24a,27a,28a-hexathia-2a,3,5a,6,8a,9,11a,12,14a,15,17a,18,21,24,27,30,33,36,39,42,45,48,54,57,60,63,66,69,72,75,78,81,84,90,93,96,99-heptatriacontazahexacyclo[59.56.4.47,73.431,94.048,52.084,88]nonacosahectan-67-yl]propanoic acid > 3-[34-(4-aminobutyl)-40-(2-amino-2-oxoethyl)-82-butan-2-yl-16,37,76-tris(3-carbamimidamidopropyl)-10,13,22,46-tetrakis(carboxymethyl)-4,55,70,97-tetrakis(1-hydroxyethyl)-3a,19-bis(hydroxymethyl)-a-[(4-hydroxyphenyl)methyl]-6a,9a-dimethyl-12a,28-bis(2-methylpropyl)-1a,2,4a,5,7a,8,10a,11,13a,14,16a,17,20,23,26,29,32,35,38,41,44,47,53,56,59,62,65,68,71,74,77,80,83,89,92,95,98-heptatriacontaoxo-58-(phenylmethyl)-79,91-di(propan-2-yl)-19a,20a,23a,24a,27a,28a-hexathia-2a,3,5a,6,8a,9,11a,12,14a,15,17a,18,21,24,27,30,33,36,39,42,45,48,54,57,60,63,66,69,72,75,78,81,84,90,93,96,99-heptatriacontazahexacyclo[59.56.4.47,73.431,94.048,52.084,88]nonacosahectan-67-yl]propanoic acid > 3-[34-(4-aminobutyl)-40-(2-amino-2-oxoethyl)-58-benzyl-82-butan-2-yl-16,37,76-tris(3-carbamimidamidopropyl)-10,13,22,46-tetrakis(carboxymethyl)-4,55,70,97-tetrakis(1-hydroxyethyl)-3a,19-bis(hydroxymethyl)-a-[(4-hydroxyphenyl)methyl]-6a,9a-dimethyl-12a,28-bis(2-methylpropyl)-1a,2,4a,5,7a,8,10a,11,13a,14,16a,17,20,23,26,29,32,35,38,41,44,47,53,56,59,62,65,68,71,74,77,80,83,89,92,95,98-heptatriacontaoxo-79,91-di(propan-2-yl)-19a,20a,23a,24a,27a,28a-hexathia-2a,3,5a,6,8a,9,11a,12,14a,15,17a,18,21,24,27,30,33,36,39,42,45,48,54,57,60,63,66,69,72,75,78,81,84,90,93,96,99-heptatriacontazahexacyclo[59.56.4.47,73.431,94.048,52.084,88]nonacosahectan-67-yl]propanoic acid > 3-[34-(4-aminobutyl)-40-(2-amino-2-oxoethyl)-58-benzyl-82-butan-2-yl-16,37,76-tris(3-carbamimidamidopropyl)-10,13,22,46-tetrakis(carboxymethyl)-4,55,70,97-tetrakis(1-hydroxyethyl)-3a,19-bis(hydroxymethyl)-a-[(4-hydroxyphenyl)methyl]-6a,9a-dimethyl-12a,28-bis(2-methylpropyl)-1a,2,4a,5,7a,8,10a,11,13a,14,16a,17,20,23,26,29,32,35,38,41,44,47,53,56,59,62,65,68,71,74,77,80,83,89,92,95,98-heptatriacontaoxo-79,91-di(propan-2-yl)-19a,20a,23a,24a,27a,28a-hexathia-2a,3,5a,6,8a,9,11a,12,14a,15,17a,18,21,24,27,30,33,36,39,42,45,48,54,57,60,63,66,69,72,75,78,81,84,90,93,96,99-heptatriacontazahexacyclo[59.56.4.47,73.431,94.048,52.084,88]nonacosahectan-67-yl]propanoic acid > 3-[34-(4-azanylbutyl)-40-(2-azanyl-2-oxidanylidene-ethyl)-82-butan-2-yl-16,37,76-tris(3-carbamimidamidopropyl)-4,55,70,97-tetrakis(1-hydroxyethyl)-3a,19-bis(hydroxymethyl)-10,13,22,46-tetrakis(2-hydroxy-2-oxoethyl)-a-[(4-hydroxyphenyl)methyl]-6a,9a-dimethyl-12a,28-bis(2-methylpropyl)-1a,2,4a,5,7a,8,10a,11,13a,14,16a,17,20,23,26,29,32,35,38,41,44,47,53,56,59,62,65,68,71,74,77,80,83,89,92,95,98-heptatriacontakis(oxidanylidene)-58-(phenylmethyl)-79,91-di(propan-2-yl)-19a,20a,23a,24a,27a,28a-hexathia-2a,3,5a,6,8a,9,11a,12,14a,15,17a,18,21,24,27,30,33,36,39,42,45,48,54,57,60,63,66,69,72,75,78,81,84,90,93,96,99-heptatriacontazahexacyclo[59.56.4.47,73.431,94.048,52.084,88]nonacosahectan-67-yl]propanoic acid > 3-[34-(4-aminobutyl)-40-(2-amino-2-keto-ethyl)-58-benzyl-10,13,22,46-tetrakis(carboxymethyl)-16,37,76-tris(3-guanidinopropyl)-a-(4-hydroxybenzyl)-4,55,70,97-tetrakis(1-hydroxyethyl)-12a,28-diisobutyl-79,91-diisopropyl-1a,2,4a,5,7a,8,10a,11,13a,14,16a,17,20,23,26,29,32,35,38,41,44,47,53,56,59,62,65,68,71,74,77,80,83,89,92,95,98-heptatriacontaketo-6a,9a-dimethyl-3a,19-dimethylol-82-sec-butyl-19a,20a,23a,24a,27a,28a-hexathia-2a,3,5a,6,8a,9,11a,12,14a,15,17a,18,21,24,27,30,33,36,39,42,45,48,54,57,60,63,66,69,72,75,78,81,84,90,93,96,99-heptatriacontazahexacyclo[59.56.4.47,73.431,94.048,52.084,88]nonacosahectan-67-yl]propionic acid > InChI=1S/C159H248N48O55S6/c1-17-73(10)119-156(262)207-47-27-35-106(207)147(253)200-117(71(6)7)149(255)196-104-68-268-265-65-101-142(248)183-83(30-21-22-42-160)130(236)181-84(31-23-43-168-157(162)163)131(237)186-92(52-107(161)215)127(233)172-59-110(218)179-96(56-116(228)229)155(261)206-46-26-34-105(206)148(254)205-123(79(16)213)152(258)190-90(50-80-28-19-18-20-29-80)137(243)194-99-63-263-264-64-100(180-111(219)60-171-126(232)88(48-69(2)3)185-125(231)75(12)175-124(230)74(11)176-140(246)97(61-208)193-136(242)91(51-81-36-38-82(214)39-37-81)191-151(257)120(76(13)210)204-146(104)252)145(251)203-122(78(15)212)154(260)198-103(67-267-266-66-102(143(249)184-86(33-25-45-170-159(166)167)133(239)199-118(72(8)9)150(256)201-119)197-153(259)121(77(14)211)202-134(240)87(40-41-112(220)221)177-108(216)57-174-129(99)235)144(250)189-95(55-115(226)227)139(245)188-94(54-114(224)225)138(244)182-85(32-24-44-169-158(164)165)132(238)192-98(62-209)141(247)187-93(53-113(222)223)128(234)173-58-109(217)178-89(49-70(4)5)135(241)195-101/h18-20,28-29,36-39,69-79,83-106,117-123,208-214H,17,21-27,30-35,40-68,160H2,1-16H3,(H2,161,215)(H,171,232)(H,172,233)(H,173,234)(H,174,235)(H,175,230)(H,176,246)(H,177,216)(H,178,217)(H,179,218)(H,180,219)(H,181,236)(H,182,244)(H,183,248)(H,184,249)(H,185,231)(H,186,237)(H,187,247)(H,188,245)(H,189,250)(H,190,258)(H,191,257)(H,192,238)(H,193,242)(H,194,243)(H,195,241)(H,196,255)(H,197,259)(H,198,260)(H,199,239)(H,200,253)(H,201,256)(H,202,240)(H,203,251)(H,204,252)(H,205,254)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H4,162,163,168)(H4,164,165,169)(H4,166,167,170) > CFRTULIKXDWFLG-UHFFFAOYSA-N > -14.2 > 3902.6442461 > C159H248N48O55S6 > 3904.4 > CCC(C)C1C(=O)N2CCCC2C(=O)NC(C(=O)NC3CSSCC4C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5CCCC5C(=O)NC(C(=O)NC(C(=O)NC6CSSCC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)C)CCCNC(=N)N)NC(=O)C(NC(=O)C(NC(=O)CNC6=O)CCC(=O)O)C(C)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N4)CC(C)C)CC(=O)O)CO)CCCNC(=N)N)CC(=O)O)CC(=O)O)C(C)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC3=O)C(C)O)CC7=CC=C(C=C7)O)CO)C)C)CC(C)C)CC8=CC=CC=C8)C(C)O)CC(=O)O)CC(=O)N)CCCNC(=N)N)CCCCN)C(C)C > CCC(C)C1C(=O)N2CCCC2C(=O)NC(C(=O)NC3CSSCC4C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5CCCC5C(=O)NC(C(=O)NC(C(=O)NC6CSSCC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)C)CCCNC(=N)N)NC(=O)C(NC(=O)C(NC(=O)CNC6=O)CCC(=O)O)C(C)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N4)CC(C)C)CC(=O)O)CO)CCCNC(=N)N)CC(=O)O)CC(=O)O)C(C)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC3=O)C(C)O)CC7=CC=C(C=C7)O)CO)C)C)CC(C)C)CC8=CC=CC=C8)C(C)O)CC(=O)O)CC(=O)N)CCCNC(=N)N)CCCCN)C(C)C > 1790 > 3901.6408912 > 0 > 268 > 0 > 38 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 110 111 3 114 115 3 116 120 3 119 121 3 123 125 3 131 132 3 133 141 3 137 138 3 143 146 3 145 153 3 147 154 3 150 15 3 151 158 3 159 164 3 166 162 3 163 170 3 168 165 3 152 17 3 171 182 8 171 183 8 176 196 8 176 197 8 177 191 3 178 189 3 179 187 3 182 199 8 183 200 8 184 192 3 186 204 3 188 207 3 203 190 3 193 205 3 196 209 8 197 210 8 199 206 8 200 206 8 209 217 8 210 217 8 225 224 3 226 234 3 229 236 3 232 230 3 241 248 3 242 250 3 244 251 3 249 253 3 172 25 3 256 260 3 258 265 3 231 43 3 $$$$