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0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4393 3.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4600 3.3737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38.5976 3.3191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38.3761 4.3699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8958 -7.8714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6744 -6.8206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8011 10.4009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.1340 11.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7214 1.2389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3001 -1.5067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.5699 -10.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8678 7.5054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.7192 11.6067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2181 -0.3010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.1278 -13.0482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.9271 -12.3310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 9.0943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2214 8.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.4814 -12.5101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 10.2511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 75 2 0 0 0 0 2 81 2 0 0 0 0 3 83 2 0 0 0 0 4 91 2 0 0 0 0 5 97 2 0 0 0 0 6101 2 0 0 0 0 7102 2 0 0 0 0 8103 2 0 0 0 0 9105 2 0 0 0 0 10107 2 0 0 0 0 11110 2 0 0 0 0 12116 2 0 0 0 0 13121 2 0 0 0 0 14124 2 0 0 0 0 15131 2 0 0 0 0 16132 2 0 0 0 0 17134 2 0 0 0 0 18144 2 0 0 0 0 19150 2 0 0 0 0 64 20 1 1 0 0 0 20 75 1 0 0 0 0 20198 1 0 0 0 0 55 21 1 6 0 0 0 21102 1 0 0 0 0 21209 1 0 0 0 0 57 22 1 1 0 0 0 22103 1 0 0 0 0 22212 1 0 0 0 0 59 23 1 6 0 0 0 23116 1 0 0 0 0 23217 1 0 0 0 0 68 24 1 6 0 0 0 24 91 1 0 0 0 0 24219 1 0 0 0 0 71 25 1 6 0 0 0 25101 1 0 0 0 0 25241 1 0 0 0 0 26 81 1 0 0 0 0 87 26 1 6 0 0 0 26242 1 0 0 0 0 27 78 1 0 0 0 0 27 97 1 0 0 0 0 27243 1 0 0 0 0 28 83 1 0 0 0 0 92 28 1 1 0 0 0 28244 1 0 0 0 0 70 29 1 1 0 0 0 29121 1 0 0 0 0 29247 1 0 0 0 0 69 30 1 6 0 0 0 30132 1 0 0 0 0 30250 1 0 0 0 0 74 31 1 1 0 0 0 31124 1 0 0 0 0 31255 1 0 0 0 0 32105 1 0 0 0 0 32117 1 0 0 0 0 32268 1 0 0 0 0 33110 1 0 0 0 0 33126 1 0 0 0 0 33279 1 0 0 0 0 34104 1 0 0 0 0 34144 1 0 0 0 0 34284 1 0 0 0 0 35122 1 0 0 0 0 35123 1 0 0 0 0 35285 1 0 0 0 0 36127 1 0 0 0 0 36130 1 0 0 0 0 36286 1 0 0 0 0 85 37 1 6 0 0 0 37289 1 0 0 0 0 37290 1 0 0 0 0 86 38 1 1 0 0 0 38291 1 0 0 0 0 38292 1 0 0 0 0 39118 1 0 0 0 0 39150 1 0 0 0 0 39298 1 0 0 0 0 40131 1 0 0 0 0 40142 1 0 0 0 0 40299 1 0 0 0 0 41134 1 0 0 0 0 41148 1 0 0 0 0 41303 1 0 0 0 0 42107 1 0 0 0 0 42311 1 0 0 0 0 42312 1 0 0 0 0 119 43 1 1 0 0 0 43316 1 0 0 0 0 43317 1 0 0 0 0 120 44 1 1 0 0 0 44321 1 0 0 0 0 44322 1 0 0 0 0 45135 1 0 0 0 0 45330 1 0 0 0 0 45331 1 0 0 0 0 46136 1 0 0 0 0 46332 1 0 0 0 0 46333 1 0 0 0 0 47145 1 0 0 0 0 47334 1 0 0 0 0 47335 1 0 0 0 0 48146 1 0 0 0 0 48336 1 0 0 0 0 48337 1 0 0 0 0 49151 1 0 0 0 0 49167 1 0 0 0 0 49342 1 0 0 0 0 50152 1 0 0 0 0 50168 1 0 0 0 0 50343 1 0 0 0 0 51167 1 0 0 0 0 51346 1 0 0 0 0 51347 1 0 0 0 0 52168 1 0 0 0 0 52348 1 0 0 0 0 52349 1 0 0 0 0 53167 2 0 0 0 0 53350 1 0 0 0 0 54168 2 0 0 0 0 54351 1 0 0 0 0 55 56 1 0 0 0 0 55 81 1 0 0 0 0 55169 1 0 0 0 0 56 60 1 0 0 0 0 56170 1 0 0 0 0 56171 1 0 0 0 0 57 58 1 0 0 0 0 57 83 1 0 0 0 0 57172 1 0 0 0 0 58 61 1 0 0 0 0 58173 1 0 0 0 0 58174 1 0 0 0 0 59 63 1 0 0 0 0 59 75 1 0 0 0 0 59175 1 0 0 0 0 60 89 1 0 0 0 0 60 90 1 0 0 0 0 60176 1 0 0 0 0 61 93 1 0 0 0 0 61 94 1 0 0 0 0 61177 1 0 0 0 0 62 64 1 0 0 0 0 62 65 1 0 0 0 0 62178 1 0 0 0 0 62179 1 0 0 0 0 63 66 1 0 0 0 0 63180 1 0 0 0 0 63181 1 0 0 0 0 64107 1 0 0 0 0 64182 1 0 0 0 0 65 67 1 0 0 0 0 65183 1 0 0 0 0 65184 1 0 0 0 0 66 76 1 0 0 0 0 66185 1 0 0 0 0 66186 1 0 0 0 0 67 78 1 0 0 0 0 67187 1 0 0 0 0 67188 1 0 0 0 0 68 73 1 0 0 0 0 68105 1 0 0 0 0 68189 1 0 0 0 0 69 72 1 0 0 0 0 69 97 1 0 0 0 0 69190 1 0 0 0 0 70 77 1 0 0 0 0 70 91 1 0 0 0 0 70191 1 0 0 0 0 71 79 1 0 0 0 0 71110 1 0 0 0 0 71192 1 0 0 0 0 72 80 1 0 0 0 0 72193 1 0 0 0 0 72194 1 0 0 0 0 73 84 1 0 0 0 0 73195 1 0 0 0 0 73196 1 0 0 0 0 74 82 1 0 0 0 0 74101 1 0 0 0 0 74197 1 0 0 0 0 76104 1 0 0 0 0 76199 1 0 0 0 0 76200 1 0 0 0 0 77 95 1 0 0 0 0 77201 1 0 0 0 0 77202 1 0 0 0 0 78203 1 0 0 0 0 78204 1 0 0 0 0 79 88 1 0 0 0 0 79205 1 0 0 0 0 79206 1 0 0 0 0 80 96 1 0 0 0 0 80207 1 0 0 0 0 80208 1 0 0 0 0 82100 1 0 0 0 0 82210 1 0 0 0 0 82211 1 0 0 0 0 84106 1 0 0 0 0 84213 1 0 0 0 0 84214 1 0 0 0 0 85 98 1 0 0 0 0 85102 1 0 0 0 0 85215 1 0 0 0 0 86 99 1 0 0 0 0 86103 1 0 0 0 0 86216 1 0 0 0 0 87113 1 0 0 0 0 87131 1 0 0 0 0 87218 1 0 0 0 0 88112 1 0 0 0 0 88220 1 0 0 0 0 88221 1 0 0 0 0 89222 1 0 0 0 0 89223 1 0 0 0 0 89224 1 0 0 0 0 90225 1 0 0 0 0 90226 1 0 0 0 0 90227 1 0 0 0 0 92114 1 0 0 0 0 92134 1 0 0 0 0 92228 1 0 0 0 0 93229 1 0 0 0 0 93230 1 0 0 0 0 93231 1 0 0 0 0 94232 1 0 0 0 0 94233 1 0 0 0 0 94234 1 0 0 0 0 95111 1 0 0 0 0 95123 2 0 0 0 0 96118 1 0 0 0 0 96235 1 0 0 0 0 96236 1 0 0 0 0 98108 1 0 0 0 0 98237 1 0 0 0 0 98238 1 0 0 0 0 99109 1 0 0 0 0 99239 1 0 0 0 0 99240 1 0 0 0 0 100115 1 0 0 0 0 100130 2 0 0 0 0 104245 1 0 0 0 0 104246 1 0 0 0 0 106135 1 0 0 0 0 106248 1 0 0 0 0 106249 1 0 0 0 0 108125 1 0 0 0 0 108251 1 0 0 0 0 108252 1 0 0 0 0 109128 1 0 0 0 0 109253 1 0 0 0 0 109254 1 0 0 0 0 111122 1 0 0 0 0 111141 2 0 0 0 0 112136 1 0 0 0 0 112256 1 0 0 0 0 112257 1 0 0 0 0 113137 1 0 0 0 0 113258 1 0 0 0 0 113259 1 0 0 0 0 114139 1 0 0 0 0 114260 1 0 0 0 0 114261 1 0 0 0 0 115127 1 0 0 0 0 115143 2 0 0 0 0 116117 1 0 0 0 0 117262 1 0 0 0 0 117263 1 0 0 0 0 118264 1 0 0 0 0 118265 1 0 0 0 0 119121 1 0 0 0 0 119129 1 0 0 0 0 119266 1 0 0 0 0 120124 1 0 0 0 0 120133 1 0 0 0 0 120267 1 0 0 0 0 122147 2 0 0 0 0 123269 1 0 0 0 0 125145 1 0 0 0 0 125270 1 0 0 0 0 125271 1 0 0 0 0 126132 1 0 0 0 0 126272 1 0 0 0 0 126273 1 0 0 0 0 127149 2 0 0 0 0 128146 1 0 0 0 0 128274 1 0 0 0 0 128275 1 0 0 0 0 129138 1 0 0 0 0 129276 1 0 0 0 0 129277 1 0 0 0 0 130278 1 0 0 0 0 133140 1 0 0 0 0 133280 1 0 0 0 0 133281 1 0 0 0 0 135282 1 0 0 0 0 135283 1 0 0 0 0 136287 1 0 0 0 0 136288 1 0 0 0 0 137157 2 0 0 0 0 137158 1 0 0 0 0 138151 1 0 0 0 0 138293 1 0 0 0 0 138294 1 0 0 0 0 139159 2 0 0 0 0 139160 1 0 0 0 0 140152 1 0 0 0 0 140295 1 0 0 0 0 140296 1 0 0 0 0 141153 1 0 0 0 0 141297 1 0 0 0 0 142144 1 0 0 0 0 142301 1 0 0 0 0 142302 1 0 0 0 0 143154 1 0 0 0 0 143300 1 0 0 0 0 145304 1 0 0 0 0 145305 1 0 0 0 0 146306 1 0 0 0 0 146307 1 0 0 0 0 147155 1 0 0 0 0 147308 1 0 0 0 0 148150 1 0 0 0 0 148309 1 0 0 0 0 148310 1 0 0 0 0 149156 1 0 0 0 0 149313 1 0 0 0 0 151314 1 0 0 0 0 151315 1 0 0 0 0 152318 1 0 0 0 0 152319 1 0 0 0 0 153155 2 0 0 0 0 153320 1 0 0 0 0 154156 2 0 0 0 0 154323 1 0 0 0 0 155324 1 0 0 0 0 156325 1 0 0 0 0 157161 1 0 0 0 0 157326 1 0 0 0 0 158162 2 0 0 0 0 158327 1 0 0 0 0 159163 1 0 0 0 0 159328 1 0 0 0 0 160164 2 0 0 0 0 160329 1 0 0 0 0 161165 2 0 0 0 0 161338 1 0 0 0 0 162165 1 0 0 0 0 162339 1 0 0 0 0 163166 2 0 0 0 0 163340 1 0 0 0 0 164166 1 0 0 0 0 164341 1 0 0 0 0 165344 1 0 0 0 0 166345 1 0 0 0 0 M END > 71566905 > 1 > 4790 > 29 > 35 > 87 > AAADcfB//gAAAAAAAAAAAAAAAAAAAWLAAAAwYMGAAAAAAFgB/gAAHgAQAAAADSjBngQ/wPLJkACoAzV3dACCgCCxAiAJ2aG4ZJiIYPLAmbGUIAhglgLIyAcYicCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (2S)-2,6-diamino-N-[(1S)-1-[[(1S)-2-[[2-[[(5S)-6-[[(5S)-6-amino-5-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]acetyl]amino]-6-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]hexanoyl]amino]-6-oxo-hexyl]amino]-5-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]acetyl]amino]-6-oxo-hexyl]amino]-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]hexanamide > (2S)-2,6-diamino-N-[(2S)-1-[[(2S)-1-[[2-[[(5S)-6-[[(5S)-6-amino-5-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamido-1-oxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxohexyl]amino]-1-oxoethyl]amino]-6-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-6-oxohexyl]amino]-5-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamido-1-oxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxohexyl]amino]-1-oxoethyl]amino]-6-oxohexyl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide > (2S)-2,6-diamino-N-[(2S)-1-[[(2S)-1-[[2-[[(5S)-6-[[(5S)-6-amino-5-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]acetyl]amino]-6-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]hexanoyl]amino]-6-oxohexyl]amino]-5-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]acetyl]amino]-6-oxohexyl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide > (2S)-2,6-diamino-N-[(2S)-1-[[(2S)-1-[[2-[[(5S)-6-[[(5S)-6-amino-5-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]acetyl]amino]-6-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]hexanoyl]amino]-6-oxohexyl]amino]-5-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]acetyl]amino]-6-oxohexyl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide > (2S)-2,6-bis(azanyl)-N-[(2S)-1-[[(2S)-1-[[2-[[(5S)-6-[[(5S)-6-azanyl-5-[[(2S)-2-[2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-5-carbamimidamido-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]ethanoylamino]-6-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]hexanoyl]amino]-6-oxidanylidene-hexyl]amino]-5-[2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-5-carbamimidamido-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]ethanoylamino]-6-oxidanylidene-hexyl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]hexanamide > (2S)-2,6-diamino-N-[(1S)-1-[[(1S)-2-[[2-[[(5S)-6-[[(5S)-6-amino-5-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]acetyl]amino]-6-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]hexanoyl]amino]-6-keto-hexyl]amino]-5-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]acetyl]amino]-6-keto-hexyl]amino]-2-keto-ethyl]amino]-1-benzyl-2-keto-ethyl]carbamoyl]-3-methyl-butyl]hexanamide > InChI=1S/C114H183N35O19/c1-69(2)57-88(144-99(155)77(119)37-15-22-48-115)109(165)148-90(59-71-31-7-5-8-32-71)106(162)135-65-94(150)128-52-26-20-46-84(139-96(152)67-137-104(160)85(44-17-24-50-117)142-111(167)92(61-73-63-133-81-41-13-11-35-75(73)81)146-101(157)79(121)39-29-55-131-113(124)125)103(159)130-54-28-19-43-83(98(123)154)141-108(164)87(47-21-27-53-129-95(151)66-136-107(163)91(60-72-33-9-6-10-34-72)149-110(166)89(58-70(3)4)145-100(156)78(120)38-16-23-49-116)140-97(153)68-138-105(161)86(45-18-25-51-118)143-112(168)93(62-74-64-134-82-42-14-12-36-76(74)82)147-102(158)80(122)40-30-56-132-114(126)127/h5-14,31-36,41-42,63-64,69-70,77-80,83-93,133-134H,15-30,37-40,43-62,65-68,115-122H2,1-4H3,(H2,123,154)(H,128,150)(H,129,151)(H,130,159)(H,135,162)(H,136,163)(H,137,160)(H,138,161)(H,139,152)(H,140,153)(H,141,164)(H,142,167)(H,143,168)(H,144,155)(H,145,156)(H,146,157)(H,147,158)(H,148,165)(H,149,166)(H4,124,125,131)(H4,126,127,132)/t77-,78-,79-,80-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-/m0/s1 > SJIJUPMWMYIHIG-XGSRYUOTSA-N > -1.6 > 2347.4463036 > C114H183N35O19 > 2347.9 > CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)NCCCCC(C(=O)NCCCCC(C(=O)N)NC(=O)C(CCCCNC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)N)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CCCNC(=N)N)N)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CCCNC(=N)N)N)NC(=O)C(CCCCN)N > CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)NCCCC[C@@H](C(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H](CCCCNC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)N)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCCNC(=N)N)N)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CCCNC(=N)N)N)NC(=O)[C@H](CCCCN)N > 930 > 2346.4429488 > 0 > 168 > 15 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 100 115 8 100 130 8 111 122 8 111 141 8 115 127 8 115 143 8 122 147 8 127 149 8 137 157 8 137 158 8 139 159 8 139 160 8 141 153 8 143 154 8 147 155 8 149 156 8 153 155 8 154 156 8 157 161 8 158 162 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