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1 6 0 0 0 183358 1 0 0 0 0 183359 1 0 0 0 0 184197 1 0 0 0 0 184360 1 0 0 0 0 185362 1 0 0 0 0 185363 1 0 0 0 0 187196 1 0 0 0 0 187199 1 1 0 0 0 187364 1 0 0 0 0 189195 1 0 0 0 0 189365 1 0 0 0 0 189366 1 0 0 0 0 190367 1 0 0 0 0 190368 1 0 0 0 0 191194 1 0 0 0 0 191198 1 1 0 0 0 191370 1 0 0 0 0 192202 1 0 0 0 0 192372 1 0 0 0 0 193203 2 0 0 0 0 193373 1 0 0 0 0 194200 1 0 0 0 0 194207 1 6 0 0 0 194374 1 0 0 0 0 195204 1 0 0 0 0 195378 1 0 0 0 0 195379 1 0 0 0 0 199382 1 0 0 0 0 199383 1 0 0 0 0 199384 1 0 0 0 0 200213 1 0 0 0 0 200385 1 0 0 0 0 200386 1 0 0 0 0 201210 1 6 0 0 0 201211 1 0 0 0 0 201387 1 0 0 0 0 202208 2 0 0 0 0 202388 1 0 0 0 0 203208 1 0 0 0 0 203389 1 0 0 0 0 204212 1 0 0 0 0 204390 1 0 0 0 0 204391 1 0 0 0 0 205206 1 0 0 0 0 206215 1 1 0 0 0 206393 1 0 0 0 0 207394 1 0 0 0 0 207395 1 0 0 0 0 207396 1 0 0 0 0 210214 1 0 0 0 0 210398 1 0 0 0 0 210399 1 0 0 0 0 212402 1 0 0 0 0 212403 1 0 0 0 0 213404 1 0 0 0 0 213405 1 0 0 0 0 213406 1 0 0 0 0 214216 1 0 0 0 0 214407 1 0 0 0 0 214408 1 0 0 0 0 215409 1 0 0 0 0 215410 1 0 0 0 0 216413 1 0 0 0 0 216414 1 0 0 0 0 M END > 50900299 > 1 > 7270 > 49 > 44 > 38 > AAADcfB//gBwAAAAAAAAAAAAAAAAAWLFgAAwYAAAAAAAAFgB9AAAHgQQCAAADSzl3ga/zvPJkgCoAzX3fACCgCCxIiAJ2aG+bJiKdv7CmbOUcAhm9hPY2Ae/3+KOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > 3-[(1R,4S,7S,13R,16S,22S,28S,31S,34S,37R,40S,43S,46S,49S,52R,55S,58R,64S,67S,70S,73S,76S,79R,82S,88S,91S,94S)-43-(4-aminobutyl)-28-(carboxymethyl)-31,49-bis(3-guanidinopropyl)-4,46,55,70,73-pentakis(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-91-(1H-indol-3-ylmethyl)-40,94-diisopropyl-67-methyl-22,64,76,88-tetrakis[(1S)-1-methylpropyl]-3,6,9,12,15,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,87,90,93,96-triacontaoxo-2a,3a,6a,7a,98,99-hexathia-2,5,8,11,14,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,86,89,92,95-triacontazahexacyclo[50.44.4.413,58.437,79.016,20.082,86]octahectan-7-yl]propanoic acid > 3-[(1R,4S,7S,13R,16S,22S,28S,31S,34S,37R,40S,43S,46S,49S,52R,55S,58R,64S,67S,70S,73S,76S,79R,82S,88S,91S,94S)-43-(4-aminobutyl)-22,64,76,88-tetrakis[(2S)-butan-2-yl]-31,49-bis(3-carbamimidamidopropyl)-28-(carboxymethyl)-4,46,55,70,73-pentakis(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-91-(1H-indol-3-ylmethyl)-67-methyl-3,6,9,12,15,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,87,90,93,96-triacontaoxo-40,94-di(propan-2-yl)-2a,3a,6a,7a,98,99-hexathia-2,5,8,11,14,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,86,89,92,95-triacontazahexacyclo[50.44.4.413,58.437,79.016,20.082,86]octahectan-7-yl]propanoic acid > 3-[(1R,4S,7S,13R,16S,22S,28S,31S,34S,37R,40S,43S,46S,49S,52R,55S,58R,64S,67S,70S,73S,76S,79R,82S,88S,91S,94S)-43-(4-aminobutyl)-22,64,76,88-tetrakis[(2S)-butan-2-yl]-31,49-bis(3-carbamimidamidopropyl)-28-(carboxymethyl)-4,46,55,70,73-pentakis(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-91-(1H-indol-3-ylmethyl)-67-methyl-3,6,9,12,15,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,87,90,93,96-triacontaoxo-40,94-di(propan-2-yl)-2a,3a,6a,7a,98,99-hexathia-2,5,8,11,14,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,86,89,92,95-triacontazahexacyclo[50.44.4.413,58.437,79.016,20.082,86]octahectan-7-yl]propanoic acid > 3-[(1R,4S,7S,13R,16S,22S,28S,31S,34S,37R,40S,43S,46S,49S,52R,55S,58R,64S,67S,70S,73S,76S,79R,82S,88S,91S,94S)-43-(4-aminobutyl)-22,64,76,88-tetrakis[(2S)-butan-2-yl]-31,49-bis(3-carbamimidamidopropyl)-28-(carboxymethyl)-4,46,55,70,73-pentakis(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-91-(1H-indol-3-ylmethyl)-67-methyl-3,6,9,12,15,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,87,90,93,96-triacontaoxo-40,94-di(propan-2-yl)-2a,3a,6a,7a,98,99-hexathia-2,5,8,11,14,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,86,89,92,95-triacontazahexacyclo[50.44.4.413,58.437,79.016,20.082,86]octahectan-7-yl]propanoic acid > 3-[(1R,4S,7S,13R,16S,22S,28S,31S,34S,37R,40S,43S,46S,49S,52R,55S,58R,64S,67S,70S,73S,76S,79R,82S,88S,91S,94S)-43-(4-azanylbutyl)-22,64,76,88-tetrakis[(2S)-butan-2-yl]-31,49-bis(3-carbamimidamidopropyl)-4,46,55,70,73-pentakis(hydroxymethyl)-28-(2-hydroxy-2-oxoethyl)-34-[(4-hydroxyphenyl)methyl]-91-(1H-indol-3-ylmethyl)-67-methyl-3,6,9,12,15,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,87,90,93,96-triacontakis(oxidanylidene)-40,94-di(propan-2-yl)-2a,3a,6a,7a,98,99-hexathia-2,5,8,11,14,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,86,89,92,95-triacontazahexacyclo[50.44.4.413,58.437,79.016,20.082,86]octahectan-7-yl]propanoic acid > 3-[(1R,4S,7S,13R,16S,22S,28S,31S,34S,37R,40S,43S,46S,49S,52R,55S,58R,64S,67S,70S,73S,76S,79R,82S,88S,91S,94S)-43-(4-aminobutyl)-28-(carboxymethyl)-31,49-bis(3-guanidinopropyl)-34-(4-hydroxybenzyl)-91-(1H-indol-3-ylmethyl)-40,94-diisopropyl-3,6,9,12,15,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,87,90,93,96-triacontaketo-67-methyl-4,46,55,70,73-pentamethylol-22,64,76,88-tetrakis[(1S)-1-methylpropyl]-2a,3a,6a,7a,98,99-hexathia-2,5,8,11,14,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,86,89,92,95-triacontazahexacyclo[50.44.4.413,58.437,79.016,20.082,86]octahectan-7-yl]propionic acid > InChI=1S/C133H206N38O40S6/c1-14-64(9)101-126(206)144-49-95(179)147-87-57-213-212-56-86-107(187)143-48-94(178)146-77(37-38-97(181)182)110(190)155-83(53-174)117(197)160-90-60-216-214-58-88(159-118(198)84(54-175)157-119(87)199)120(200)150-76(30-23-41-140-133(137)138)109(189)154-82(52-173)115(195)149-74(28-20-21-39-134)111(191)165-100(63(7)8)128(208)163-89(121(201)151-78(44-69-33-35-71(177)36-34-69)112(192)148-75(29-22-40-139-132(135)136)108(188)152-80(46-98(183)184)106(186)142-50-96(180)164-103(66(11)16-3)130(210)170-42-24-31-92(170)124(204)161-86)59-215-217-61-91(123(203)168-102(65(10)15-2)129(209)158-85(55-176)116(196)156-81(51-172)114(194)145-68(13)105(185)167-101)162-125(205)93-32-25-43-171(93)131(211)104(67(12)17-4)169-113(193)79(153-127(207)99(62(5)6)166-122(90)202)45-70-47-141-73-27-19-18-26-72(70)73/h18-19,26-27,33-36,47,62-68,74-93,99-104,141,172-177H,14-17,20-25,28-32,37-46,48-61,134H2,1-13H3,(H,142,186)(H,143,187)(H,144,206)(H,145,194)(H,146,178)(H,147,179)(H,148,192)(H,149,195)(H,150,200)(H,151,201)(H,152,188)(H,153,207)(H,154,189)(H,155,190)(H,156,196)(H,157,199)(H,158,209)(H,159,198)(H,160,197)(H,161,204)(H,162,205)(H,163,208)(H,164,180)(H,165,191)(H,166,202)(H,167,185)(H,168,203)(H,169,193)(H,181,182)(H,183,184)(H4,135,136,139)(H4,137,138,140)/t64-,65-,66-,67-,68-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,99-,100-,101-,102-,103-,104-/m0/s1 > XIMBUNNVXNNCGM-CKLVWTJCSA-N > -6.9 > 3168.3611354 > C133H206N38O40S6 > 3169.7 > CCC(C)C1C(=O)NCC(=O)NC2CSSCC3C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC4CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C)CO)CO)C(C)CC)NC(=O)C5CCCN5C(=O)C(NC(=O)C(NC(=O)C(NC4=O)C(C)C)CC6=CNC7=CC=CC=C76)C(C)CC)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N8CCCC8C(=O)N3)C(C)CC)CC(=O)O)CCCNC(=N)N)CC9=CC=C(C=C9)O)C(C)C)CCCCN)CO)CCCNC(=N)N)NC(=O)C(NC2=O)CO)CO)CCC(=O)O > CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H]2CSSC[C@H]3C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]4CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C)CO)CO)[C@@H](C)CC)NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC4=O)C(C)C)CC6=CNC7=CC=CC=C76)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N8CCC[C@H]8C(=O)N3)[C@@H](C)CC)CC(=O)O)CCCNC(=N)N)CC9=CC=C(C=C9)O)C(C)C)CCCCN)CO)CCCNC(=N)N)NC(=O)[C@@H](NC2=O)CO)CO)CCC(=O)O > 1370 > 3167.3577805 > 0 > 217 > 31 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 100 108 5 103 111 6 107 110 5 109 117 6 115 127 6 116 123 8 116 126 8 118 129 5 122 125 6 123 128 8 123 130 8 128 134 8 130 139 8 134 141 8 136 146 5 139 141 8 144 140 6 142 149 5 143 150 6 151 148 6 153 159 6 154 163 6 156 169 5 158 172 5 161 166 5 162 173 5 177 190 5 179 192 8 179 193 8 182 189 6 184 183 6 187 199 5 191 198 5 192 202 8 193 203 8 194 207 6 201 210 6 202 208 8 203 208 8 206 215 5 55 126 8 55 128 8 85 86 6 89 91 6 90 93 5 92 102 5 97 98 6 $$$$