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0 0 0 0 83206 1 0 0 0 0 84 85 1 0 0 0 0 84207 1 0 0 0 0 84208 1 0 0 0 0 85209 1 0 0 0 0 86 89 1 0 0 0 0 86212 1 0 0 0 0 86213 1 0 0 0 0 87 89 1 0 0 0 0 87214 1 0 0 0 0 87215 1 0 0 0 0 88 98 1 0 0 0 0 88216 1 0 0 0 0 89217 1 0 0 0 0 90 91 1 0 0 0 0 91 99 1 0 0 0 0 91219 1 0 0 0 0 92104 1 0 0 0 0 92109 1 0 0 0 0 92220 1 0 0 0 0 94 95 1 0 0 0 0 94 96 1 0 0 0 0 94105 1 0 0 0 0 94221 1 0 0 0 0 95102 1 0 0 0 0 95224 1 0 0 0 0 95225 1 0 0 0 0 96101 1 0 0 0 0 96226 1 0 0 0 0 96227 1 0 0 0 0 97106 1 0 0 0 0 97110 1 0 0 0 0 97228 1 0 0 0 0 99115 1 0 0 0 0 99229 1 0 0 0 0 101103 1 0 0 0 0 101230 1 0 0 0 0 102103 1 0 0 0 0 102231 1 0 0 0 0 102232 1 0 0 0 0 103233 1 0 0 0 0 104116 1 0 0 0 0 104236 1 0 0 0 0 105120 1 0 0 0 0 105237 1 0 0 0 0 107111 1 0 0 0 0 107113 1 0 0 0 0 107240 1 0 0 0 0 108112 1 0 0 0 0 110121 1 0 0 0 0 110244 1 0 0 0 0 112118 1 0 0 0 0 112245 1 0 0 0 0 113122 1 0 0 0 0 113246 1 0 0 0 0 113247 1 0 0 0 0 114119 1 0 0 0 0 115248 1 0 0 0 0 115249 1 0 0 0 0 115250 1 0 0 0 0 116252 1 0 0 0 0 116253 1 0 0 0 0 116254 1 0 0 0 0 117123 1 0 0 0 0 117126 1 0 0 0 0 117256 1 0 0 0 0 118125 1 0 0 0 0 118257 1 0 0 0 0 118258 1 0 0 0 0 119128 1 0 0 0 0 119260 1 0 0 0 0 121262 1 0 0 0 0 121263 1 0 0 0 0 121264 1 0 0 0 0 122130 1 0 0 0 0 122266 1 0 0 0 0 122267 1 0 0 0 0 124131 1 0 0 0 0 124270 1 0 0 0 0 124271 1 0 0 0 0 125132 1 0 0 0 0 125272 1 0 0 0 0 125273 1 0 0 0 0 126133 1 0 0 0 0 126274 1 0 0 0 0 126275 1 0 0 0 0 127129 1 0 0 0 0 128136 1 0 0 0 0 128277 1 0 0 0 0 128278 1 0 0 0 0 129137 1 0 0 0 0 129279 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 133142 2 0 0 0 0 133143 1 0 0 0 0 134138 1 0 0 0 0 134139 1 0 0 0 0 134286 1 0 0 0 0 135140 1 0 0 0 0 137289 1 0 0 0 0 137290 1 0 0 0 0 137291 1 0 0 0 0 139141 1 0 0 0 0 139292 1 0 0 0 0 139293 1 0 0 0 0 140144 1 0 0 0 0 140296 1 0 0 0 0 141147 1 0 0 0 0 141148 1 0 0 0 0 141297 1 0 0 0 0 142145 1 0 0 0 0 142298 1 0 0 0 0 143146 2 0 0 0 0 143299 1 0 0 0 0 144150 1 0 0 0 0 144302 1 0 0 0 0 144303 1 0 0 0 0 145149 2 0 0 0 0 145306 1 0 0 0 0 146149 1 0 0 0 0 146307 1 0 0 0 0 147308 1 0 0 0 0 147309 1 0 0 0 0 147310 1 0 0 0 0 148311 1 0 0 0 0 148312 1 0 0 0 0 148313 1 0 0 0 0 149315 1 0 0 0 0 151152 1 0 0 0 0 152153 2 0 0 0 0 152318 1 0 0 0 0 153154 1 0 0 0 0 153319 1 0 0 0 0 154155 2 0 0 0 0 154320 1 0 0 0 0 155156 1 0 0 0 0 155321 1 0 0 0 0 156157 1 0 0 0 0 156322 1 0 0 0 0 156323 1 0 0 0 0 157158 1 0 0 0 0 157324 1 0 0 0 0 157325 1 0 0 0 0 158326 1 0 0 0 0 158327 1 0 0 0 0 158328 1 0 0 0 0 M END > 16132338 > 1 > 4810 > 32 > 31 > 61 > AAADcfB//gAEAAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAAABAAAAHgIQCAAADT/hmEYyCILAAgCIAiHSGACCAAAgAAAIiIGIA8gKcD6B0TGUYAAmtgCYiYed2aOOAAAAAAAAAABAAABAAAAQAAAAAAAAAA== > 2-[[(2R)-2-[[(2S)-2-[[2-[[2-[[(2S,3S)-2-[[2-[[(2R)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-[[(2R)-2-[[(2R,3S)-2-[[(2R)-5-amino-2-[[(2R)-2-[[4-amino-2-[[(2S)-4-amino-2-[[(2Z,4Z)-octa-2,4-dienoyl]amino]-4-oxo-butanoyl]amino]-4-oxo-butanoyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]pentanoyl]amino]-3-hydroxy-butanoyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propanoyl]amino]pentanoyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]-3-hydroxy-butanoyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-2-(3-chloro-4-hydroxy-cyclohexyl)acetic acid > 2-[[(2R)-2-[[(2S)-2-[[2-[[2-[[(2S,3S)-2-[[2-[[(2R)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-[[(2R)-2-[[(2R,3S)-2-[[(2R)-5-amino-2-[[(2R)-2-[[4-amino-2-[[(2S)-4-amino-1,4-dioxo-2-[[(2Z,4Z)-1-oxoocta-2,4-dienyl]amino]butyl]amino]-1,4-dioxobutyl]amino]-2-(4-hydroxycyclohexyl)-1-oxoethyl]amino]-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-2-(4-hydroxycyclohexyl)-1-oxoethyl]amino]-2-(4-hydroxycyclohexyl)-1-oxoethyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopentyl]amino]-2-(4-hydroxycyclohexyl)-1-oxoethyl]amino]-3-hydroxy-1-oxobutyl]amino]-2-(4-hydroxycyclohexyl)-1-oxoethyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-2-(3-chloro-4-hydroxycyclohexyl)acetic acid > 2-[[(2R)-2-[[(2S)-2-[[2-[[2-[[(2S,3S)-2-[[2-[[(2R)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-[[(2R)-2-[[(2R,3S)-2-[[(2R)-5-amino-2-[[(2R)-2-[[4-amino-2-[[(2S)-4-amino-2-[[(2Z,4Z)-octa-2,4-dienoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]pentanoyl]amino]-3-hydroxybutanoyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]-3-hydroxybutanoyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]acetyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-2-(3-chloro-4-hydroxycyclohexyl)acetic acid > 2-[[(2R)-2-[[(2S)-2-[[2-[[2-[[(2S,3S)-2-[[2-[[(2R)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-[[(2R)-2-[[(2R,3S)-2-[[(2R)-5-amino-2-[[(2R)-2-[[4-amino-2-[[(2S)-4-amino-2-[[(2Z,4Z)-octa-2,4-dienoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]pentanoyl]amino]-3-hydroxybutanoyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]-3-hydroxybutanoyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]acetyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-2-(3-chloro-4-hydroxycyclohexyl)acetic acid > 2-[[(2R)-2-[[(2S)-2-[2-[[2-[[(2S,3S)-2-[[2-[[(2R)-5-azanyl-2-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-[[(2R)-2-[[(2R,3S)-2-[[(2R)-5-azanyl-2-[[(2R)-2-[[4-azanyl-2-[[(2S)-4-azanyl-2-[[(2Z,4Z)-octa-2,4-dienoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-2-(4-oxidanylcyclohexyl)ethanoyl]amino]pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-2-(4-oxidanylcyclohexyl)ethanoyl]amino]-2-(4-oxidanylcyclohexyl)ethanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]pentanoyl]amino]-2-(4-oxidanylcyclohexyl)ethanoyl]amino]-3-oxidanyl-butanoyl]amino]-2-(4-oxidanylcyclohexyl)ethanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]propanoyl]amino]-2-(3-chloranyl-4-oxidanyl-cyclohexyl)ethanoic acid > 2-[[(2R)-2-[[(2S)-2-[[2-[[2-[[(2S,3S)-2-[[2-[[(2R)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-[[(2R)-2-[[(2R,3S)-2-[[(2R)-5-amino-2-[[(2R)-2-[[4-amino-2-[[(2S)-4-amino-4-keto-2-[[(2Z,4Z)-octa-2,4-dienoyl]amino]butanoyl]amino]-4-keto-butanoyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]pentanoyl]amino]-3-hydroxy-butanoyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propanoyl]amino]pentanoyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]-3-hydroxy-butanoyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-2-(3-chloro-4-hydroxy-cyclohexyl)acetic acid > InChI=1S/C106H170ClN21O30/c1-8-9-10-11-15-22-80(140)114-75(50-78(110)138)96(147)118-76(51-79(111)139)97(148)124-86(60-25-36-66(133)37-26-60)102(153)117-72(21-17-46-109)92(143)120-83(56(6)130)100(151)126-89(63-31-42-69(136)43-32-63)105(156)127-88(62-29-40-68(135)41-30-62)104(155)121-82(55(5)129)99(150)119-74(48-58-18-13-12-14-19-58)95(146)116-71(20-16-45-108)93(144)123-87(61-27-38-67(134)39-28-61)103(154)122-84(57(7)131)101(152)125-85(59-23-34-65(132)35-24-59)98(149)112-52-81(141)115-73(47-53(2)3)94(145)113-54(4)91(142)128-90(106(157)158)64-33-44-77(137)70(107)49-64/h10-15,18-19,22,53-57,59-77,82-90,129-137H,8-9,16-17,20-21,23-52,108-109H2,1-7H3,(H2,110,138)(H2,111,139)(H,112,149)(H,113,145)(H,114,140)(H,115,141)(H,116,146)(H,117,153)(H,118,147)(H,119,150)(H,120,143)(H,121,155)(H,122,154)(H,123,144)(H,124,148)(H,125,152)(H,126,151)(H,127,156)(H,128,142)(H,157,158)/b11-10-,22-15-/t54-,55+,56+,57+,59?,60?,61?,62?,63?,64?,65?,66?,67?,68?,69?,70?,71-,72-,73+,74+,75+,76?,77?,82+,83-,84+,85?,86-,87?,88-,89-,90?/m1/s1 > FSBZBQUUCNYWOK-YIOPJBSBSA-N > -4.8 > 2253.2144556 > C106H170ClN21O30 > 2254.1 > CCCC=CC=CC(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(C1CCC(CC1)O)C(=O)NC(CCCN)C(=O)NC(C(C)O)C(=O)NC(C2CCC(CC2)O)C(=O)NC(C3CCC(CC3)O)C(=O)NC(C(C)O)C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CCCN)C(=O)NC(C5CCC(CC5)O)C(=O)NC(C(C)O)C(=O)NC(C6CCC(CC6)O)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C7CCC(C(C7)Cl)O)C(=O)O > CCC/C=C\C=C/C(=O)N[C@@H](CC(=O)N)C(=O)NC(CC(=O)N)C(=O)N[C@H](C1CCC(CC1)O)C(=O)N[C@H](CCCN)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](C2CCC(CC2)O)C(=O)N[C@H](C3CCC(CC3)O)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@H](CCCN)C(=O)NC(C5CCC(CC5)O)C(=O)N[C@@H]([C@H](C)O)C(=O)NC(C6CCC(CC6)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)NC(C7CCC(C(C7)Cl)O)C(=O)O > 852 > 2252.2111008 > 0 > 158 > 15 > 7 > 2 > 0 > 0 > 1 > -1 > 1 5 255 > 101 1 3 105 120 3 99 11 5 119 128 3 103 12 3 104 13 5 133 142 8 133 143 8 142 145 8 143 146 8 145 149 8 146 149 8 110 17 5 60 32 5 59 33 5 92 34 5 88 37 6 97 38 5 91 39 6 107 40 6 117 42 5 112 44 5 134 46 6 129 47 6 140 51 5 74 93 3 82 100 3 94 95 3 $$$$