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1 0 0 0 0 187367 1 0 0 0 0 188201 1 0 0 0 0 188370 1 0 0 0 0 189202 2 0 0 0 0 189371 1 0 0 0 0 190198 1 0 0 0 0 190373 1 0 0 0 0 190374 1 0 0 0 0 191194 1 0 0 0 0 191196 1 0 0 0 0 191375 1 0 0 0 0 194204 1 0 0 0 0 194377 1 0 0 0 0 194378 1 0 0 0 0 195205 1 0 0 0 0 195207 1 0 0 0 0 195379 1 0 0 0 0 197380 1 0 0 0 0 197381 1 0 0 0 0 197382 1 0 0 0 0 198209 1 0 0 0 0 198384 1 0 0 0 0 198385 1 0 0 0 0 199200 1 0 0 0 0 200208 1 0 0 0 0 200387 1 0 0 0 0 201206 2 0 0 0 0 201388 1 0 0 0 0 202206 1 0 0 0 0 202389 1 0 0 0 0 204211 1 0 0 0 0 204212 1 0 0 0 0 204390 1 0 0 0 0 205210 1 0 0 0 0 205391 1 0 0 0 0 205392 1 0 0 0 0 208214 1 0 0 0 0 208396 1 0 0 0 0 208397 1 0 0 0 0 209398 1 0 0 0 0 209399 1 0 0 0 0 210213 1 0 0 0 0 210400 1 0 0 0 0 210401 1 0 0 0 0 211402 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 212407 1 0 0 0 0 213215 1 0 0 0 0 213410 1 0 0 0 0 213411 1 0 0 0 0 215416 1 0 0 0 0 215417 1 0 0 0 0 M END > 16132681 > 1 > 7220 > 47 > 41 > 36 > AAADcfB//gBwAAAAAAAAAAAAAAAAAWLFgAAwYAAAAAAAAFgB9AAAHgQQCAAADSzl3ga/zvPJkgCoAzX3fACCgCCxIiAJ2aG+bJiKdv7C2bOUcAhm9hPY2Ae93+KOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > 3-[43,49-bis(4-aminobutyl)-28,46-bis(2-amino-2-oxo-ethyl)-31-(2-guanidinoethyl)-4,55,73-tris(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-91-(1H-indol-3-ylmethyl)-64-isobutyl-40,94-diisopropyl-67,70-dimethyl-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)-28,46-bis(2-amino-2-oxoethyl)-22,76,88-tri(butan-2-yl)-31-(2-carbamimidamidoethyl)-4,55,73-tris(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-91-(1H-indol-3-ylmethyl)-67,70-dimethyl-64-(2-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-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-[43,49-bis(4-aminobutyl)-28,46-bis(2-amino-2-oxoethyl)-22,76,88-tri(butan-2-yl)-31-(2-carbamimidamidoethyl)-4,55,73-tris(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-91-(1H-indol-3-ylmethyl)-67,70-dimethyl-64-(2-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-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-[43,49-bis(4-aminobutyl)-28,46-bis(2-amino-2-oxoethyl)-22,76,88-tri(butan-2-yl)-31-(2-carbamimidamidoethyl)-4,55,73-tris(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-91-(1H-indol-3-ylmethyl)-67,70-dimethyl-64-(2-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-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-[43,49-bis(4-azanylbutyl)-28,46-bis(2-azanyl-2-oxidanylidene-ethyl)-22,76,88-tri(butan-2-yl)-31-(2-carbamimidamidoethyl)-4,55,73-tris(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-91-(1H-indol-3-ylmethyl)-67,70-dimethyl-64-(2-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-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-[43,49-bis(4-aminobutyl)-28,46-bis(2-amino-2-keto-ethyl)-31-(2-guanidinoethyl)-34-(4-hydroxybenzyl)-91-(1H-indol-3-ylmethyl)-64-isobutyl-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-67,70-dimethyl-4,55,73-trimethylol-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/C133H206N38O38S6/c1-15-65(10)103-130(207)159-84(53-172)118(195)146-68(13)106(183)145-69(14)107(184)152-79(44-62(4)5)108(185)142-51-98(179)148-88-57-211-210-56-87-110(187)144-50-97(178)147-77(36-37-100(181)182)112(189)157-85(54-173)119(196)161-91-60-214-212-58-89(160-120(197)86(55-174)158-121(88)198)122(199)150-75(28-20-22-39-134)111(188)155-83(48-96(137)177)116(193)149-76(29-21-23-40-135)114(191)166-102(64(8)9)129(206)164-90(59-213-215-61-92(125(202)168-103)163-127(204)94-31-25-43-171(94)132(209)105(67(12)17-3)169-117(194)81(156-128(205)101(63(6)7)167-124(91)201)46-71-49-141-74-27-19-18-26-73(71)74)123(200)153-80(45-70-32-34-72(175)35-33-70)115(192)151-78(38-41-140-133(138)139)113(190)154-82(47-95(136)176)109(186)143-52-99(180)165-104(66(11)16-2)131(208)170-42-24-30-93(170)126(203)162-87/h18-19,26-27,32-35,49,62-69,75-94,101-105,141,172-175H,15-17,20-25,28-31,36-48,50-61,134-135H2,1-14H3,(H2,136,176)(H2,137,177)(H,142,185)(H,143,186)(H,144,187)(H,145,183)(H,146,195)(H,147,178)(H,148,179)(H,149,193)(H,150,199)(H,151,192)(H,152,184)(H,153,200)(H,154,190)(H,155,188)(H,156,205)(H,157,189)(H,158,198)(H,159,207)(H,160,197)(H,161,196)(H,162,203)(H,163,204)(H,164,206)(H,165,180)(H,166,191)(H,167,201)(H,168,202)(H,169,194)(H,181,182)(H4,138,139,140) > RIRDXKFFFGDMLZ-UHFFFAOYSA-N > -7.8 > 3136.3713061 > C133H206N38O38S6 > 3137.7 > 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)CC(=O)N)CCCCN)NC(=O)C(NC2=O)CO)CO)CCC(=O)O)CC(C)C)C)C)CO > 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)CC(=O)N)CCCCN)NC(=O)C(NC2=O)CO)CO)CCC(=O)O)CC(C)C)C)C)CO > 1340 > 3135.3679513 > 0 > 215 > 0 > 30 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 101 109 3 105 108 3 107 115 3 113 125 3 114 121 8 114 124 8 116 127 3 120 123 3 121 126 8 121 128 8 126 132 8 128 137 8 132 139 8 134 144 3 137 139 8 142 138 3 140 147 3 141 148 3 149 146 3 150 157 3 152 163 3 155 169 3 156 167 3 158 164 3 162 171 3 175 187 3 177 188 8 177 189 8 179 185 3 181 180 3 186 197 3 188 201 8 189 202 8 191 194 3 195 205 3 200 208 3 201 206 8 202 206 8 53 124 8 53 126 8 83 84 3 87 89 3 88 91 3 90 100 3 95 96 3 98 106 3 $$$$