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2-[(1R,7S,10R,16S,19S,22S,25S,28S,30S,33R,36S,39S,42S,45S,48S,51R,57S,63S,66R,69S,72R,75S,81S,87S)-19-(4-aminobutyl)-81-(2-amino-2-oxo-ethyl)-28-(3-amino-3-oxo-propyl)-48-(carboxymethyl)-30,36,39,75-tetrakis(3-guanidinopropyl)-7,45-bis(hydroxymethyl)-87-[(4-hydroxyphenyl)methyl]-25-isobutyl-63-methyl-22,69-bis[(1S)-1-methylpropyl]-2,5,8,11,17,20,23,26,29,31,34,37,40,43,46,49,52,58,61,64,67,70,73,76,79,82,85,88-octacosaoxo-a,91,92,95,96,99-hexathia-3,6,9,12,18,21,24,27,32,35,38,41,44,47,50,53,59,62,65,68,71,74,77,80,83,86,89-heptacosazahexacyclo[49.38.4.410,66.433,72.012,16.053,57]henhectan-42-yl]acetic acid > 2-[(1R,7S,10R,16S,19S,22S,25S,28S,30S,33R,36S,39S,42S,45S,48S,51R,57S,63S,66R,69S,72R,75S,81S,87S)-19-(4-aminobutyl)-81-(2-amino-2-oxoethyl)-28-(3-amino-3-oxopropyl)-22,69-bis[(2S)-butan-2-yl]-30,36,39,75-tetrakis(3-carbamimidamidopropyl)-48-(carboxymethyl)-7,45-bis(hydroxymethyl)-87-[(4-hydroxyphenyl)methyl]-63-methyl-25-(2-methylpropyl)-2,5,8,11,17,20,23,26,29,31,34,37,40,43,46,49,52,58,61,64,67,70,73,76,79,82,85,88-octacosaoxo-a,91,92,95,96,99-hexathia-3,6,9,12,18,21,24,27,32,35,38,41,44,47,50,53,59,62,65,68,71,74,77,80,83,86,89-heptacosazahexacyclo[49.38.4.410,66.433,72.012,16.053,57]henhectan-42-yl]acetic acid > 2-[(1R,7S,10R,16S,19S,22S,25S,28S,30S,33R,36S,39S,42S,45S,48S,51R,57S,63S,66R,69S,72R,75S,81S,87S)-19-(4-aminobutyl)-81-(2-amino-2-oxoethyl)-28-(3-amino-3-oxopropyl)-22,69-bis[(2S)-butan-2-yl]-30,36,39,75-tetrakis(3-carbamimidamidopropyl)-48-(carboxymethyl)-7,45-bis(hydroxymethyl)-87-[(4-hydroxyphenyl)methyl]-63-methyl-25-(2-methylpropyl)-2,5,8,11,17,20,23,26,29,31,34,37,40,43,46,49,52,58,61,64,67,70,73,76,79,82,85,88-octacosaoxo-a,91,92,95,96,99-hexathia-3,6,9,12,18,21,24,27,32,35,38,41,44,47,50,53,59,62,65,68,71,74,77,80,83,86,89-heptacosazahexacyclo[49.38.4.410,66.433,72.012,16.053,57]henhectan-42-yl]acetic acid > 2-[(1R,7S,10R,16S,19S,22S,25S,28S,30S,33R,36S,39S,42S,45S,48S,51R,57S,63S,66R,69S,72R,75S,81S,87S)-19-(4-aminobutyl)-81-(2-amino-2-oxoethyl)-28-(3-amino-3-oxopropyl)-22,69-bis[(2S)-butan-2-yl]-30,36,39,75-tetrakis(3-carbamimidamidopropyl)-48-(carboxymethyl)-7,45-bis(hydroxymethyl)-87-[(4-hydroxyphenyl)methyl]-63-methyl-25-(2-methylpropyl)-2,5,8,11,17,20,23,26,29,31,34,37,40,43,46,49,52,58,61,64,67,70,73,76,79,82,85,88-octacosaoxo-a,91,92,95,96,99-hexathia-3,6,9,12,18,21,24,27,32,35,38,41,44,47,50,53,59,62,65,68,71,74,77,80,83,86,89-heptacosazahexacyclo[49.38.4.410,66.433,72.012,16.053,57]henhectan-42-yl]acetic acid > 2-[(1R,7S,10R,16S,19S,22S,25S,28S,30S,33R,36S,39S,42S,45S,48S,51R,57S,63S,66R,69S,72R,75S,81S,87S)-19-(4-azanylbutyl)-81-(2-azanyl-2-oxidanylidene-ethyl)-28-(3-azanyl-3-oxidanylidene-propyl)-22,69-bis[(2S)-butan-2-yl]-30,36,39,75-tetrakis(3-carbamimidamidopropyl)-7,45-bis(hydroxymethyl)-48-(2-hydroxy-2-oxoethyl)-87-[(4-hydroxyphenyl)methyl]-63-methyl-25-(2-methylpropyl)-2,5,8,11,17,20,23,26,29,31,34,37,40,43,46,49,52,58,61,64,67,70,73,76,79,82,85,88-octacosakis(oxidanylidene)-a,91,92,95,96,99-hexathia-3,6,9,12,18,21,24,27,32,35,38,41,44,47,50,53,59,62,65,68,71,74,77,80,83,86,89-heptacosazahexacyclo[49.38.4.410,66.433,72.012,16.053,57]henhectan-42-yl]ethanoic acid > 2-[(1R,7S,10R,16S,19S,22S,25S,28S,30S,33R,36S,39S,42S,45S,48S,51R,57S,63S,66R,69S,72R,75S,81S,87S)-19-(4-aminobutyl)-81-(2-amino-2-keto-ethyl)-28-(3-amino-3-keto-propyl)-48-(carboxymethyl)-30,36,39,75-tetrakis(3-guanidinopropyl)-87-(4-hydroxybenzyl)-25-isobutyl-2,5,8,11,17,20,23,26,29,31,34,37,40,43,46,49,52,58,61,64,67,70,73,76,79,82,85,88-octacosaketo-63-methyl-7,45-dimethylol-22,69-bis[(1S)-1-methylpropyl]-a,91,92,95,96,99-hexathia-3,6,9,12,18,21,24,27,32,35,38,41,44,47,50,53,59,62,65,68,71,74,77,80,83,86,89-heptacosazahexacyclo[49.38.4.410,66.433,72.012,16.053,57]henhectan-42-yl]acetic acid > InChI=1S/C119H190N42O37S6/c1-8-56(5)90-112(195)150-67(38-55(3)4)101(184)143-62(29-30-82(121)165)92(175)61(18-12-32-131-116(123)124)94(177)153-75-50-200-201-51-76-108(191)144-63(20-13-33-132-117(125)126)95(178)135-44-86(169)141-69(40-83(122)166)96(179)136-45-85(168)140-68(39-59-25-27-60(164)28-26-59)102(185)154-74-49-199-203-53-78(156-104(187)71(42-89(173)174)149-106(189)73(48-163)151-103(186)70(41-88(171)172)148-99(182)66(22-15-35-134-119(129)130)145-98(181)65(146-107(75)190)21-14-34-133-118(127)128)114(197)160-36-16-23-80(160)110(193)138-43-84(167)139-58(7)93(176)152-77(109(192)159-91(57(6)9-2)113(196)155-76)52-202-204-54-79(157-105(188)72(47-162)142-87(170)46-137-97(74)180)115(198)161-37-17-24-81(161)111(194)147-64(100(183)158-90)19-10-11-31-120/h25-28,55-58,61-81,90-91,162-164H,8-24,29-54,120H2,1-7H3,(H2,121,165)(H2,122,166)(H,135,178)(H,136,179)(H,137,180)(H,138,193)(H,139,167)(H,140,168)(H,141,169)(H,142,170)(H,143,184)(H,144,191)(H,145,181)(H,146,190)(H,147,194)(H,148,182)(H,149,189)(H,150,195)(H,151,186)(H,152,176)(H,153,177)(H,154,185)(H,155,196)(H,156,187)(H,157,188)(H,158,183)(H,159,192)(H,171,172)(H,173,174)(H4,123,124,131)(H4,125,126,132)(H4,127,128,133)(H4,129,130,134)/t56-,57-,58-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,90-,91-/m0/s1 > QUTMEAKIQRKXFQ-RBAHFHBHSA-N > -14.3 > 2992.2634870 > C119H190N42O37S6 > 2993.4 > CCC(C)C1C(=O)NC2CSSCC3C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC4CSSCC(C(=O)NCC(=O)NC(C(=O)NC(CSSCC(C(=O)N1)NC(=O)C(NC(=O)CNC(=O)C5CCCN5C4=O)C)C(=O)N6CCCC6C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)C(C(=O)N3)CCCNC(=N)N)CCC(=O)N)CC(C)C)C(C)CC)CCCCN)CO)NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC2=O)CCCNC(=N)N)CC(=O)N)CC7=CC=C(C=C7)O)CC(=O)O)CO)CC(=O)O)CCCNC(=N)N)CCCNC(=N)N > CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@H]3C(=O)N[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]4CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]5CCCN5C4=O)C)C(=O)N6CCC[C@H]6C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H](C(=O)N3)CCCNC(=N)N)CCC(=O)N)CC(C)C)[C@@H](C)CC)CCCCN)CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC2=O)CCCNC(=N)N)CC(=O)N)CC7=CC=C(C=C7)O)CC(=O)O)CO)CC(=O)O)CCCNC(=N)N)CCCNC(=N)N > 1430 > 2991.2601322 > 0 > 204 > 26 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 103 229 6 105 112 5 106 232 6 111 119 5 115 116 5 123 131 6 126 132 5 127 266 6 133 146 6 135 139 6 140 288 5 142 291 5 143 154 5 151 158 6 157 312 5 160 320 5 163 169 6 166 173 6 168 171 6 172 176 6 179 182 6 180 188 8 180 189 8 188 193 8 189 194 8 193 195 8 194 195 8 197 202 6 86 205 5 92 212 5 93 98 5 94 215 5 $$$$