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3-[(1R,7S,10S,13R,16S,19S,22S,28S,31R,34S,37S,40S,43S,46S,52R,55S,58R,61S,64S,67S,70S,73R,76S,79S,82S,88S,91S,97S)-61,67-bis(4-aminobutyl)-64,82-bis(2-amino-2-oxo-ethyl)-19-benzyl-79-(3-guanidinopropyl)-40-[(1R)-1-hydroxyethyl]-10,37,55-tris(hydroxymethyl)-76-[(4-hydroxyphenyl)methyl]-43,46-diisobutyl-16,70,88-triisopropyl-22,34,91-tris[(1S)-1-methylpropyl]-2,5,8,11,14,17,20,23,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,98-hentriacontaoxo-1a,2a,5a,6a,9a,10a-hexathia-3,6,9,12,15,18,21,24,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,99-hentriacontazahexacyclo[50.47.4.413,58.431,73.024,28.093,97]hendecahectan-7-yl]propanoic acid > 3-[(1R,7S,10S,13R,16S,19S,22S,28S,31R,34S,37S,40S,43S,46S,52R,55S,58R,61S,64S,67S,70S,73R,76S,79S,82S,88S,91S,97S)-61,67-bis(4-aminobutyl)-64,82-bis(2-amino-2-oxoethyl)-22,34,91-tris[(2S)-butan-2-yl]-79-(3-carbamimidamidopropyl)-40-[(1R)-1-hydroxyethyl]-10,37,55-tris(hydroxymethyl)-76-[(4-hydroxyphenyl)methyl]-43,46-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,98-hentriacontaoxo-19-(phenylmethyl)-16,70,88-tri(propan-2-yl)-1a,2a,5a,6a,9a,10a-hexathia-3,6,9,12,15,18,21,24,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,99-hentriacontazahexacyclo[50.47.4.413,58.431,73.024,28.093,97]hendecahectan-7-yl]propanoic acid > 3-[(1R,7S,10S,13R,16S,19S,22S,28S,31R,34S,37S,40S,43S,46S,52R,55S,58R,61S,64S,67S,70S,73R,76S,79S,82S,88S,91S,97S)-61,67-bis(4-aminobutyl)-64,82-bis(2-amino-2-oxoethyl)-19-benzyl-22,34,91-tris[(2S)-butan-2-yl]-79-(3-carbamimidamidopropyl)-40-[(1R)-1-hydroxyethyl]-10,37,55-tris(hydroxymethyl)-76-[(4-hydroxyphenyl)methyl]-43,46-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,98-hentriacontaoxo-16,70,88-tri(propan-2-yl)-1a,2a,5a,6a,9a,10a-hexathia-3,6,9,12,15,18,21,24,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,99-hentriacontazahexacyclo[50.47.4.413,58.431,73.024,28.093,97]hendecahectan-7-yl]propanoic acid > 3-[(1R,7S,10S,13R,16S,19S,22S,28S,31R,34S,37S,40S,43S,46S,52R,55S,58R,61S,64S,67S,70S,73R,76S,79S,82S,88S,91S,97S)-61,67-bis(4-aminobutyl)-64,82-bis(2-amino-2-oxoethyl)-19-benzyl-22,34,91-tris[(2S)-butan-2-yl]-79-(3-carbamimidamidopropyl)-40-[(1R)-1-hydroxyethyl]-10,37,55-tris(hydroxymethyl)-76-[(4-hydroxyphenyl)methyl]-43,46-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,98-hentriacontaoxo-16,70,88-tri(propan-2-yl)-1a,2a,5a,6a,9a,10a-hexathia-3,6,9,12,15,18,21,24,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,99-hentriacontazahexacyclo[50.47.4.413,58.431,73.024,28.093,97]hendecahectan-7-yl]propanoic acid > 3-[(1R,7S,10S,13R,16S,19S,22S,28S,31R,34S,37S,40S,43S,46S,52R,55S,58R,61S,64S,67S,70S,73R,76S,79S,82S,88S,91S,97S)-61,67-bis(4-azanylbutyl)-64,82-bis(2-azanyl-2-oxidanylidene-ethyl)-22,34,91-tris[(2S)-butan-2-yl]-79-(3-carbamimidamidopropyl)-10,37,55-tris(hydroxymethyl)-76-[(4-hydroxyphenyl)methyl]-43,46-bis(2-methylpropyl)-40-[(1R)-1-oxidanylethyl]-2,5,8,11,14,17,20,23,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,98-hentriacontakis(oxidanylidene)-19-(phenylmethyl)-16,70,88-tri(propan-2-yl)-1a,2a,5a,6a,9a,10a-hexathia-3,6,9,12,15,18,21,24,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,99-hentriacontazahexacyclo[50.47.4.413,58.431,73.024,28.093,97]hendecahectan-7-yl]propanoic acid > 3-[(1R,7S,10S,13R,16S,19S,22S,28S,31R,34S,37S,40S,43S,46S,52R,55S,58R,61S,64S,67S,70S,73R,76S,79S,82S,88S,91S,97S)-61,67-bis(4-aminobutyl)-64,82-bis(2-amino-2-keto-ethyl)-19-benzyl-79-(3-guanidinopropyl)-76-(4-hydroxybenzyl)-40-[(1R)-1-hydroxyethyl]-43,46-diisobutyl-16,70,88-triisopropyl-2,5,8,11,14,17,20,23,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,98-hentriacontaketo-10,37,55-trimethylol-22,34,91-tris[(1S)-1-methylpropyl]-1a,2a,5a,6a,9a,10a-hexathia-3,6,9,12,15,18,21,24,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,99-hentriacontazahexacyclo[50.47.4.413,58.431,73.024,28.093,97]hendecahectan-7-yl]propionic acid > InChI=1S/C141H224N38O40S6/c1-18-72(14)109-137(216)165-91(60-182)126(205)177-112(75(17)183)138(217)161-84(50-68(6)7)120(199)157-83(49-67(4)5)113(192)149-56-103(188)153-93-62-221-220-61-92-115(194)151-55-102(187)152-82(42-43-105(190)191)118(197)163-89(58-180)124(203)167-96-65-224-222-63-94(166-125(204)90(59-181)164-127(93)206)128(207)156-79(33-24-26-44-142)116(195)160-88(54-101(145)186)122(201)154-80(34-25-27-45-143)119(198)172-108(71(12)13)135(214)170-95(64-223-225-66-97(131(210)174-109)169-133(212)99-37-30-47-178(99)139(218)110(73(15)19-2)175-123(202)86(51-76-31-22-21-23-32-76)162-134(213)107(70(10)11)173-130(96)209)129(208)158-85(52-77-38-40-78(184)41-39-77)121(200)155-81(35-28-46-148-141(146)147)117(196)159-87(53-100(144)185)114(193)150-57-104(189)171-106(69(8)9)136(215)176-111(74(16)20-3)140(219)179-48-29-36-98(179)132(211)168-92/h21-23,31-32,38-41,67-75,79-99,106-112,180-184H,18-20,24-30,33-37,42-66,142-143H2,1-17H3,(H2,144,185)(H2,145,186)(H,149,192)(H,150,193)(H,151,194)(H,152,187)(H,153,188)(H,154,201)(H,155,200)(H,156,207)(H,157,199)(H,158,208)(H,159,196)(H,160,195)(H,161,217)(H,162,213)(H,163,197)(H,164,206)(H,165,216)(H,166,204)(H,167,203)(H,168,211)(H,169,212)(H,170,214)(H,171,189)(H,172,198)(H,173,209)(H,174,210)(H,175,202)(H,176,215)(H,177,205)(H,190,191)(H4,146,147,148)/t72-,73-,74-,75+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,106-,107-,108-,109-,110-,111-,112-/m0/s1 > QRZDNWCHQRFTOQ-OFSRULCSSA-N > -5.6 > 3282.5019860 > C141H224N38O40S6 > 3283.9 > 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=CC=CC=C6)C(C)CC)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N7CCCC7C(=O)N3)C(C)CC)C(C)C)CC(=O)N)CCCNC(=N)N)CC8=CC=C(C=C8)O)C(C)C)CCCCN)CC(=O)N)CCCCN)NC(=O)C(NC2=O)CO)CO)CCC(=O)O)CC(C)C)CC(C)C)C(C)O)CO > CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H]2CSSC[C@H]3C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]4CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N1)NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC4=O)C(C)C)CC6=CC=CC=C6)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N7CCC[C@H]7C(=O)N3)[C@@H](C)CC)C(C)C)CC(=O)N)CCCNC(=N)N)CC8=CC=C(C=C8)O)C(C)C)CCCCN)CC(=O)N)CCCCN)NC(=O)[C@@H](NC2=O)CO)CO)CCC(=O)O)CC(C)C)CC(C)C)[C@@H](C)O)CO > 1370 > 3281.4986311 > 0 > 225 > 32 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 105 258 6 108 259 6 109 113 6 112 117 5 119 277 5 122 130 5 123 133 8 123 134 8 125 129 6 133 139 8 134 140 8 138 148 5 139 144 8 140 144 8 146 320 6 147 321 6 150 325 6 151 156 6 153 162 6 157 335 5 159 172 6 164 168 6 165 173 6 169 177 5 176 195 5 178 183 5 188 206 8 188 207 8 190 379 6 191 198 5 193 197 6 206 215 8 207 216 8 208 214 5 210 220 6 215 218 8 216 218 8 166 27 6 85 226 5 86 227 5 93 240 5 94 241 6 97 103 5 98 104 6 $$$$