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0 0 191201 1 0 0 0 0 191372 1 0 0 0 0 192202 2 0 0 0 0 192373 1 0 0 0 0 193374 1 0 0 0 0 193375 1 0 0 0 0 193376 1 0 0 0 0 194377 1 0 0 0 0 194378 1 0 0 0 0 194379 1 0 0 0 0 195200 1 0 0 0 0 195380 1 0 0 0 0 195381 1 0 0 0 0 197199 1 0 0 0 0 197208 1 0 0 0 0 197383 1 0 0 0 0 198207 1 0 0 0 0 198209 1 0 0 0 0 198386 1 0 0 0 0 200210 1 0 0 0 0 200387 1 0 0 0 0 200388 1 0 0 0 0 201206 2 0 0 0 0 201390 1 0 0 0 0 202206 1 0 0 0 0 202391 1 0 0 0 0 204205 1 0 0 0 0 205212 1 0 0 0 0 205392 1 0 0 0 0 207211 1 0 0 0 0 207393 1 0 0 0 0 207394 1 0 0 0 0 208396 1 0 0 0 0 208397 1 0 0 0 0 208398 1 0 0 0 0 210401 1 0 0 0 0 210402 1 0 0 0 0 211213 1 0 0 0 0 211403 1 0 0 0 0 211404 1 0 0 0 0 212405 1 0 0 0 0 212406 1 0 0 0 0 213214 1 0 0 0 0 213409 1 0 0 0 0 213410 1 0 0 0 0 214415 1 0 0 0 0 214416 1 0 0 0 0 M END > 16132679 > 1 > 7140 > 48 > 42 > 35 > AAADcfB//gBwAAAAAAAAAAAAAAAAAWLFgAAwYAAAAAAAAFgB9AAAHgQQCAAADTzl3ga/zvPJkgCoAzX3fACCgCCxIiAJ2aG+bJiKdv7C2bOUcAhm9hPY2Ae93+KOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > 3-[43,49-bis(4-aminobutyl)-28-(2-amino-2-oxo-ethyl)-31-(2-guanidinoethyl)-73-(1-hydroxyethyl)-4,46,55,70-tetrakis(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-91-(1H-indol-3-ylmethyl)-40,67,94-triisopropyl-64-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-22,76,88-trisec-butyl-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-[43,49-bis(4-aminobutyl)-28-(2-amino-2-oxoethyl)-22,76,88-tri(butan-2-yl)-31-(2-carbamimidamidoethyl)-73-(1-hydroxyethyl)-4,46,55,70-tetrakis(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-91-(1H-indol-3-ylmethyl)-64-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-40,67,94-tri(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-[43,49-bis(4-aminobutyl)-28-(2-amino-2-oxoethyl)-22,76,88-tri(butan-2-yl)-31-(2-carbamimidamidoethyl)-73-(1-hydroxyethyl)-4,46,55,70-tetrakis(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-91-(1H-indol-3-ylmethyl)-64-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-40,67,94-tri(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-[43,49-bis(4-aminobutyl)-28-(2-amino-2-oxoethyl)-22,76,88-tri(butan-2-yl)-31-(2-carbamimidamidoethyl)-73-(1-hydroxyethyl)-4,46,55,70-tetrakis(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-91-(1H-indol-3-ylmethyl)-64-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-40,67,94-tri(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-[43,49-bis(4-azanylbutyl)-28-(2-azanyl-2-oxidanylidene-ethyl)-22,76,88-tri(butan-2-yl)-31-(2-carbamimidamidoethyl)-73-(1-hydroxyethyl)-4,46,55,70-tetrakis(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-91-(1H-indol-3-ylmethyl)-64-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)-40,67,94-tri(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-[43,49-bis(4-aminobutyl)-28-(2-amino-2-keto-ethyl)-31-(2-guanidinoethyl)-34-(4-hydroxybenzyl)-73-(1-hydroxyethyl)-91-(1H-indol-3-ylmethyl)-40,67,94-triisopropyl-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-64-methyl-4,46,55,70-tetramethylol-22,76,88-trisec-butyl-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/C132H205N37O39S6/c1-15-64(10)101-128(205)167-104(68(14)174)129(206)155-84(54-173)117(194)163-98(61(4)5)125(202)143-67(13)105(182)140-48-95(178)145-86-56-210-209-55-85-107(184)142-49-94(177)144-76(36-37-97(180)181)109(186)153-82(52-171)115(192)157-89-59-213-211-57-87(156-116(193)83(53-172)154-118(86)195)119(196)147-74(28-20-22-39-133)108(185)152-81(51-170)114(191)146-75(29-21-23-40-134)111(188)162-100(63(8)9)127(204)160-88(58-212-214-60-90(122(199)165-101)159-124(201)92-31-25-43-169(92)131(208)103(66(12)17-3)166-113(190)79(151-126(203)99(62(6)7)164-121(89)198)45-70-47-139-73-27-19-18-26-72(70)73)120(197)149-78(44-69-32-34-71(175)35-33-69)112(189)148-77(38-41-138-132(136)137)110(187)150-80(46-93(135)176)106(183)141-50-96(179)161-102(65(11)16-2)130(207)168-42-24-30-91(168)123(200)158-85/h18-19,26-27,32-35,47,61-68,74-92,98-104,139,170-175H,15-17,20-25,28-31,36-46,48-60,133-134H2,1-14H3,(H2,135,176)(H,140,182)(H,141,183)(H,142,184)(H,143,202)(H,144,177)(H,145,178)(H,146,191)(H,147,196)(H,148,189)(H,149,197)(H,150,187)(H,151,203)(H,152,185)(H,153,186)(H,154,195)(H,155,206)(H,156,193)(H,157,192)(H,158,200)(H,159,201)(H,160,204)(H,161,179)(H,162,188)(H,163,194)(H,164,198)(H,165,199)(H,166,190)(H,167,205)(H,180,181)(H4,136,137,138) > SYHQKPWQWWBAPO-UHFFFAOYSA-N > -7.2 > 3125.3553217 > C132H205N37O39S6 > 3126.7 > CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=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)N1)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)N)CCNC(=N)N)CC9=CC=C(C=C9)O)C(C)C)CCCCN)CO)CCCCN)NC(=O)C(NC2=O)CO)CO)CCC(=O)O)C)C(C)C)CO)C(C)O > CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=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)N1)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)N)CCNC(=N)N)CC9=CC=C(C=C9)O)C(C)C)CCCCN)CO)CCCCN)NC(=O)C(NC2=O)CO)CO)CCC(=O)O)C)C(C)C)CO)C(C)O > 1340 > 3124.3519669 > 0 > 214 > 0 > 31 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 101 109 3 105 108 3 107 116 3 113 125 3 114 121 8 114 124 8 115 126 3 119 123 3 121 127 8 121 128 8 127 133 8 128 137 8 132 144 3 133 140 8 137 140 8 143 138 3 141 147 3 142 149 3 151 146 3 152 159 3 153 169 3 154 164 3 157 172 3 158 168 3 161 165 3 139 17 3 174 181 3 177 190 3 179 191 8 179 192 8 182 188 3 184 183 3 191 201 8 192 202 8 197 208 3 198 207 3 201 206 8 202 206 8 205 212 3 54 124 8 54 127 8 83 84 3 87 88 3 89 91 3 90 100 3 95 96 3 98 106 3 $$$$