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0 0 0 215217 1 0 0 0 0 215411 1 0 0 0 0 215412 1 0 0 0 0 217419 1 0 0 0 0 217420 1 0 0 0 0 M END > 50900298 > 1 > 7270 > 50 > 42 > 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)-43,49-bis(4-aminobutyl)-28,46-bis(carboxymethyl)-31-(3-guanidinopropyl)-4,55,70,73-tetrakis(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)-43,49-bis(4-aminobutyl)-22,64,76,88-tetrakis[(2S)-butan-2-yl]-31-(3-carbamimidamidopropyl)-28,46-bis(carboxymethyl)-4,55,70,73-tetrakis(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)-43,49-bis(4-aminobutyl)-22,64,76,88-tetrakis[(2S)-butan-2-yl]-31-(3-carbamimidamidopropyl)-28,46-bis(carboxymethyl)-4,55,70,73-tetrakis(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)-43,49-bis(4-aminobutyl)-22,64,76,88-tetrakis[(2S)-butan-2-yl]-31-(3-carbamimidamidopropyl)-28,46-bis(carboxymethyl)-4,55,70,73-tetrakis(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)-43,49-bis(4-azanylbutyl)-22,64,76,88-tetrakis[(2S)-butan-2-yl]-31-(3-carbamimidamidopropyl)-4,55,70,73-tetrakis(hydroxymethyl)-28,46-bis(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)-43,49-bis(4-aminobutyl)-28,46-bis(carboxymethyl)-31-(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-4,55,70,73-tetramethylol-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/C134H206N36O41S6/c1-14-65(9)103-128(206)143-51-96(177)146-88-58-213-212-57-87-109(187)142-50-95(176)145-78(38-39-98(179)180)112(190)154-84(54-172)119(197)159-91-61-216-214-59-89(158-120(198)85(55-173)156-121(88)199)122(200)149-75(29-20-22-40-135)110(188)152-82(48-100(183)184)115(193)147-76(30-21-23-41-136)113(191)164-102(64(7)8)130(208)162-90(123(201)150-79(45-70-34-36-72(175)37-35-70)114(192)148-77(31-24-42-139-134(137)138)111(189)151-81(47-99(181)182)108(186)141-52-97(178)163-105(67(11)16-3)132(210)169-43-25-32-93(169)126(204)160-87)60-215-217-62-92(125(203)167-104(66(10)15-2)131(209)157-86(56-174)118(196)155-83(53-171)117(195)144-69(13)107(185)166-103)161-127(205)94-33-26-44-170(94)133(211)106(68(12)17-4)168-116(194)80(153-129(207)101(63(5)6)165-124(91)202)46-71-49-140-74-28-19-18-27-73(71)74/h18-19,27-28,34-37,49,63-69,75-94,101-106,140,171-175H,14-17,20-26,29-33,38-48,50-62,135-136H2,1-13H3,(H,141,186)(H,142,187)(H,143,206)(H,144,195)(H,145,176)(H,146,177)(H,147,193)(H,148,192)(H,149,200)(H,150,201)(H,151,189)(H,152,188)(H,153,207)(H,154,190)(H,155,196)(H,156,199)(H,157,209)(H,158,198)(H,159,197)(H,160,204)(H,161,205)(H,162,208)(H,163,178)(H,164,191)(H,165,202)(H,166,185)(H,167,203)(H,168,194)(H,179,180)(H,181,182)(H,183,184)(H4,137,138,139)/t65-,66-,67-,68-,69-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,101-,102-,103-,104-,105-,106-/m0/s1 > WOTBFLBLBDVVIA-RPJNLBNGSA-N > -9 > 3168.3499020 > C134H206N36O41S6 > 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)CC(=O)O)CCCCN)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)CC(=O)O)CCCCN)NC(=O)[C@@H](NC2=O)CO)CO)CCC(=O)O > 1350 > 3167.3465472 > 0 > 217 > 31 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 102 110 6 106 109 5 108 116 6 114 126 6 115 122 8 115 125 8 117 128 5 121 124 6 122 127 8 122 129 8 127 133 8 129 138 8 133 140 8 135 145 5 138 140 8 143 139 6 141 148 5 142 149 6 150 147 6 152 158 6 153 162 6 155 168 5 157 171 5 159 165 5 161 172 5 176 189 5 178 191 8 178 192 8 181 188 6 183 182 6 186 198 5 190 197 5 191 202 8 192 203 8 193 206 6 199 208 6 202 207 8 203 207 8 205 213 5 56 125 8 56 127 8 84 85 6 88 90 6 89 92 5 91 101 5 96 97 6 99 107 5 $$$$