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0 0 0 0 0 0 0 0 0 0 7.6534 3.2713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6741 2.9376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.8117 2.8830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.5902 3.9338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8208 -9.4642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8000 -9.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0152 9.9648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3481 10.8365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9355 0.8028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5142 -1.9428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.2807 -12.6121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.2600 -12.2785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 8.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7993 8.9923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.9333 11.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4323 -0.7371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 74 2 0 0 0 0 2 79 2 0 0 0 0 3 80 2 0 0 0 0 4 81 2 0 0 0 0 5 86 2 0 0 0 0 6 95 2 0 0 0 0 7 98 2 0 0 0 0 8 99 2 0 0 0 0 9100 2 0 0 0 0 10105 2 0 0 0 0 11107 2 0 0 0 0 12113 2 0 0 0 0 13116 2 0 0 0 0 14119 2 0 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1 0 0 0 0 59177 1 0 0 0 0 60107 1 0 0 0 0 60178 1 0 0 0 0 61 66 1 0 0 0 0 61179 1 0 0 0 0 61180 1 0 0 0 0 62 69 1 0 0 0 0 62 98 1 0 0 0 0 62181 1 0 0 0 0 63 70 1 0 0 0 0 63 81 1 0 0 0 0 63182 1 0 0 0 0 64 75 1 0 0 0 0 64183 1 0 0 0 0 64184 1 0 0 0 0 65 73 1 0 0 0 0 65 86 1 0 0 0 0 65185 1 0 0 0 0 66 76 1 0 0 0 0 66186 1 0 0 0 0 66187 1 0 0 0 0 67 72 1 0 0 0 0 67105 1 0 0 0 0 67188 1 0 0 0 0 68 71 1 0 0 0 0 68 95 1 0 0 0 0 68189 1 0 0 0 0 69 78 1 0 0 0 0 69190 1 0 0 0 0 69191 1 0 0 0 0 70 82 1 0 0 0 0 70192 1 0 0 0 0 70193 1 0 0 0 0 71 77 1 0 0 0 0 71194 1 0 0 0 0 71195 1 0 0 0 0 72 83 1 0 0 0 0 72196 1 0 0 0 0 72197 1 0 0 0 0 73 84 1 0 0 0 0 73198 1 0 0 0 0 73199 1 0 0 0 0 75102 1 0 0 0 0 75201 1 0 0 0 0 75202 1 0 0 0 0 76203 1 0 0 0 0 76204 1 0 0 0 0 77 94 1 0 0 0 0 77205 1 0 0 0 0 77206 1 0 0 0 0 78101 1 0 0 0 0 78207 1 0 0 0 0 78208 1 0 0 0 0 82104 1 0 0 0 0 82122 2 0 0 0 0 83108 1 0 0 0 0 83212 1 0 0 0 0 83213 1 0 0 0 0 84109 1 0 0 0 0 84124 2 0 0 0 0 85 96 1 0 0 0 0 85 99 1 0 0 0 0 85215 1 0 0 0 0 87 97 1 0 0 0 0 87100 1 0 0 0 0 87216 1 0 0 0 0 88115 1 0 0 0 0 88131 1 0 0 0 0 88218 1 0 0 0 0 89219 1 0 0 0 0 89220 1 0 0 0 0 89221 1 0 0 0 0 90222 1 0 0 0 0 90223 1 0 0 0 0 90224 1 0 0 0 0 91118 1 0 0 0 0 91133 1 0 0 0 0 91225 1 0 0 0 0 92226 1 0 0 0 0 92227 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 94120 1 0 0 0 0 94232 1 0 0 0 0 94233 1 0 0 0 0 96111 1 0 0 0 0 96235 1 0 0 0 0 96236 1 0 0 0 0 97112 1 0 0 0 0 97237 1 0 0 0 0 97238 1 0 0 0 0 101132 1 0 0 0 0 101242 1 0 0 0 0 101243 1 0 0 0 0 102244 1 0 0 0 0 102245 1 0 0 0 0 103110 1 0 0 0 0 103113 1 0 0 0 0 103247 1 0 0 0 0 104121 1 0 0 0 0 104136 2 0 0 0 0 106114 1 0 0 0 0 106119 1 0 0 0 0 106248 1 0 0 0 0 108134 1 0 0 0 0 108250 1 0 0 0 0 108251 1 0 0 0 0 109123 1 0 0 0 0 109139 2 0 0 0 0 110125 1 0 0 0 0 110252 1 0 0 0 0 110253 1 0 0 0 0 111129 1 0 0 0 0 111254 1 0 0 0 0 111255 1 0 0 0 0 112130 1 0 0 0 0 112256 1 0 0 0 0 112257 1 0 0 0 0 114126 1 0 0 0 0 114258 1 0 0 0 0 114259 1 0 0 0 0 115138 1 0 0 0 0 115260 1 0 0 0 0 115261 1 0 0 0 0 116117 1 0 0 0 0 117262 1 0 0 0 0 117263 1 0 0 0 0 118140 1 0 0 0 0 118264 1 0 0 0 0 118265 1 0 0 0 0 120266 1 0 0 0 0 120267 1 0 0 0 0 121142 2 0 0 0 0 122268 1 0 0 0 0 123143 2 0 0 0 0 124270 1 0 0 0 0 125135 1 0 0 0 0 125271 1 0 0 0 0 125272 1 0 0 0 0 126137 1 0 0 0 0 126273 1 0 0 0 0 126274 1 0 0 0 0 127128 1 0 0 0 0 127275 1 0 0 0 0 127276 1 0 0 0 0 129145 1 0 0 0 0 129278 1 0 0 0 0 129279 1 0 0 0 0 130146 1 0 0 0 0 130280 1 0 0 0 0 130281 1 0 0 0 0 132283 1 0 0 0 0 132284 1 0 0 0 0 134286 1 0 0 0 0 134287 1 0 0 0 0 135150 1 0 0 0 0 135289 1 0 0 0 0 135290 1 0 0 0 0 136149 1 0 0 0 0 136291 1 0 0 0 0 137152 1 0 0 0 0 137292 1 0 0 0 0 137293 1 0 0 0 0 138155 2 0 0 0 0 138156 1 0 0 0 0 139151 1 0 0 0 0 139294 1 0 0 0 0 140157 2 0 0 0 0 140158 1 0 0 0 0 141144 1 0 0 0 0 141301 1 0 0 0 0 141302 1 0 0 0 0 142153 1 0 0 0 0 142303 1 0 0 0 0 143154 1 0 0 0 0 143304 1 0 0 0 0 145308 1 0 0 0 0 145309 1 0 0 0 0 146310 1 0 0 0 0 146311 1 0 0 0 0 147148 1 0 0 0 0 147314 1 0 0 0 0 147315 1 0 0 0 0 149153 2 0 0 0 0 149318 1 0 0 0 0 150319 1 0 0 0 0 150320 1 0 0 0 0 151154 2 0 0 0 0 151321 1 0 0 0 0 152322 1 0 0 0 0 152323 1 0 0 0 0 153324 1 0 0 0 0 154325 1 0 0 0 0 155159 1 0 0 0 0 155326 1 0 0 0 0 156160 2 0 0 0 0 156327 1 0 0 0 0 157161 1 0 0 0 0 157330 1 0 0 0 0 158162 2 0 0 0 0 158331 1 0 0 0 0 159163 2 0 0 0 0 159338 1 0 0 0 0 160163 1 0 0 0 0 160339 1 0 0 0 0 161164 2 0 0 0 0 161340 1 0 0 0 0 162164 1 0 0 0 0 162341 1 0 0 0 0 163346 1 0 0 0 0 164347 1 0 0 0 0 M END > 71566904 > 1 > 4560 > 29 > 31 > 85 > AAADcfB//gAAAAAAAAAAAAAAAAAAAWLAAAAwYMGAAAAAAFgB/gAAHgAQAAAADSjBngQ+wPLJkACoAzV3VACCgCAxAiAI2aG4ZJgIYPLAkbGUIAhglgDIyAcYicCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (2S)-2,6-diamino-N-[(1S)-2-[[(1S)-5-amino-1-[[2-[[(1S)-1-[[(5S)-6-amino-5-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]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]carbamoyl]-5-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]pentyl]amino]-2-oxo-ethyl]carbamoyl]pentyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]hexanamide > (2S)-2,6-diamino-N-[(2S)-1-[[(2S)-6-amino-1-[[2-[[(2S)-1-[[(5S)-6-amino-5-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diamino-1-oxohexyl]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]-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-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]hexanamide > (2S)-2,6-diamino-N-[(2S)-1-[[(2S)-6-amino-1-[[2-[[(2S)-1-[[(5S)-6-amino-5-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]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]-6-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]hexanamide > (2S)-2,6-diamino-N-[(2S)-1-[[(2S)-6-amino-1-[[2-[[(2S)-1-[[(5S)-6-amino-5-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]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]-6-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]hexanamide > (2S)-2,6-bis(azanyl)-N-[(2S)-1-[[(2S)-6-azanyl-1-[[2-[[(2S)-1-[[(5S)-6-azanyl-5-[[(2S)-2-[2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]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]-6-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-1-oxidanylidene-hexan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]hexanamide > (2S)-2,6-diamino-N-[(1S)-2-[[(1S)-5-amino-1-[[2-[[(1S)-1-[[(5S)-6-amino-5-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]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]carbamoyl]-5-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]pentyl]amino]-2-keto-ethyl]carbamoyl]pentyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]hexanamide > InChI=1S/C114H183N31O19/c1-71(2)59-90(140-101(151)79(121)39-15-24-50-115)111(161)144-92(61-73-33-7-5-8-34-73)108(158)131-67-96(146)126-56-30-22-48-86(135-98(148)69-133-106(156)87(46-19-28-54-119)138-113(163)94(142-103(153)81(123)41-17-26-52-117)63-75-65-129-83-43-13-11-37-77(75)83)105(155)128-58-32-21-45-85(100(125)150)137-110(160)89(49-23-31-57-127-97(147)68-132-109(159)93(62-74-35-9-6-10-36-74)145-112(162)91(60-72(3)4)141-102(152)80(122)40-16-25-51-116)136-99(149)70-134-107(157)88(47-20-29-55-120)139-114(164)95(143-104(154)82(124)42-18-27-53-118)64-76-66-130-84-44-14-12-38-78(76)84/h5-14,33-38,43-44,65-66,71-72,79-82,85-95,129-130H,15-32,39-42,45-64,67-70,115-124H2,1-4H3,(H2,125,150)(H,126,146)(H,127,147)(H,128,155)(H,131,158)(H,132,159)(H,133,156)(H,134,157)(H,135,148)(H,136,149)(H,137,160)(H,138,163)(H,139,164)(H,140,151)(H,141,152)(H,142,153)(H,143,154)(H,144,161)(H,145,162)/t79-,80-,81-,82-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-/m0/s1 > KWVZHXZJJNZGQI-NJKFWSEJSA-N > -0.4 > 2291.43400757 > C114H183N31O19 > 2291.9 > 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(CCCCN)N)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CCCCN)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](CCCCN)N)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CCCCN)N)NC(=O)[C@H](CCCCN)N > 859 > 2290.43065274 > 0 > 164 > 15 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 104 121 8 104 136 8 109 123 8 109 139 8 121 142 8 123 143 8 136 149 8 138 155 8 138 156 8 139 151 8 140 157 8 140 158 8 142 153 8 143 154 8 149 153 8 151 154 8 155 159 8 156 160 8 157 161 8 158 162 8 159 163 8 160 163 8 161 164 8 162 164 8 60 20 5 51 21 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