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2-[(1R,7S,13R,19S,22S,25S,28S,31S,33S,36R,39S,42S,45S,48S,51S,54R,60S,66S,69R,72S,75R,78S,84S,90S)-22-(4-aminobutyl)-84-(2-amino-2-oxo-ethyl)-31-(3-amino-3-oxo-propyl)-51-(carboxymethyl)-33,39,42,78-tetrakis(3-guanidinopropyl)-7,48-bis(hydroxymethyl)-90-[(4-hydroxyphenyl)methyl]-28-isobutyl-66-methyl-25,72-bis[(1S)-1-methylpropyl]-2,5,8,11,14,20,23,26,29,32,34,37,40,43,46,49,52,55,61,64,67,70,73,76,79,82,85,88,91-nonacosaoxo-2a,3a,94,95,98,99-hexathia-3,6,9,12,15,21,24,27,30,35,38,41,44,47,50,53,56,62,65,68,71,74,77,80,83,86,89,92-octacosazahexacyclo[52.38.4.413,69.436,75.015,19.056,60]tetrahectan-45-yl]acetic acid > 2-[(1R,7S,13R,19S,22S,25S,28S,31S,33S,36R,39S,42S,45S,48S,51S,54R,60S,66S,69R,72S,75R,78S,84S,90S)-22-(4-aminobutyl)-84-(2-amino-2-oxoethyl)-31-(3-amino-3-oxopropyl)-25,72-bis[(2S)-butan-2-yl]-33,39,42,78-tetrakis(3-carbamimidamidopropyl)-51-(carboxymethyl)-7,48-bis(hydroxymethyl)-90-[(4-hydroxyphenyl)methyl]-66-methyl-28-(2-methylpropyl)-2,5,8,11,14,20,23,26,29,32,34,37,40,43,46,49,52,55,61,64,67,70,73,76,79,82,85,88,91-nonacosaoxo-2a,3a,94,95,98,99-hexathia-3,6,9,12,15,21,24,27,30,35,38,41,44,47,50,53,56,62,65,68,71,74,77,80,83,86,89,92-octacosazahexacyclo[52.38.4.413,69.436,75.015,19.056,60]tetrahectan-45-yl]acetic acid > 2-[(1R,7S,13R,19S,22S,25S,28S,31S,33S,36R,39S,42S,45S,48S,51S,54R,60S,66S,69R,72S,75R,78S,84S,90S)-22-(4-aminobutyl)-84-(2-amino-2-oxoethyl)-31-(3-amino-3-oxopropyl)-25,72-bis[(2S)-butan-2-yl]-33,39,42,78-tetrakis(3-carbamimidamidopropyl)-51-(carboxymethyl)-7,48-bis(hydroxymethyl)-90-[(4-hydroxyphenyl)methyl]-66-methyl-28-(2-methylpropyl)-2,5,8,11,14,20,23,26,29,32,34,37,40,43,46,49,52,55,61,64,67,70,73,76,79,82,85,88,91-nonacosaoxo-2a,3a,94,95,98,99-hexathia-3,6,9,12,15,21,24,27,30,35,38,41,44,47,50,53,56,62,65,68,71,74,77,80,83,86,89,92-octacosazahexacyclo[52.38.4.413,69.436,75.015,19.056,60]tetrahectan-45-yl]acetic acid > 2-[(1R,7S,13R,19S,22S,25S,28S,31S,33S,36R,39S,42S,45S,48S,51S,54R,60S,66S,69R,72S,75R,78S,84S,90S)-22-(4-aminobutyl)-84-(2-amino-2-oxoethyl)-31-(3-amino-3-oxopropyl)-25,72-bis[(2S)-butan-2-yl]-33,39,42,78-tetrakis(3-carbamimidamidopropyl)-51-(carboxymethyl)-7,48-bis(hydroxymethyl)-90-[(4-hydroxyphenyl)methyl]-66-methyl-28-(2-methylpropyl)-2,5,8,11,14,20,23,26,29,32,34,37,40,43,46,49,52,55,61,64,67,70,73,76,79,82,85,88,91-nonacosaoxo-2a,3a,94,95,98,99-hexathia-3,6,9,12,15,21,24,27,30,35,38,41,44,47,50,53,56,62,65,68,71,74,77,80,83,86,89,92-octacosazahexacyclo[52.38.4.413,69.436,75.015,19.056,60]tetrahectan-45-yl]acetic acid > 2-[(1R,7S,13R,19S,22S,25S,28S,31S,33S,36R,39S,42S,45S,48S,51S,54R,60S,66S,69R,72S,75R,78S,84S,90S)-22-(4-azanylbutyl)-84-(2-azanyl-2-oxidanylidene-ethyl)-31-(3-azanyl-3-oxidanylidene-propyl)-25,72-bis[(2S)-butan-2-yl]-33,39,42,78-tetrakis(3-carbamimidamidopropyl)-7,48-bis(hydroxymethyl)-51-(2-hydroxy-2-oxoethyl)-90-[(4-hydroxyphenyl)methyl]-66-methyl-28-(2-methylpropyl)-2,5,8,11,14,20,23,26,29,32,34,37,40,43,46,49,52,55,61,64,67,70,73,76,79,82,85,88,91-nonacosakis(oxidanylidene)-2a,3a,94,95,98,99-hexathia-3,6,9,12,15,21,24,27,30,35,38,41,44,47,50,53,56,62,65,68,71,74,77,80,83,86,89,92-octacosazahexacyclo[52.38.4.413,69.436,75.015,19.056,60]tetrahectan-45-yl]ethanoic acid > 2-[(1R,7S,13R,19S,22S,25S,28S,31S,33S,36R,39S,42S,45S,48S,51S,54R,60S,66S,69R,72S,75R,78S,84S,90S)-22-(4-aminobutyl)-84-(2-amino-2-keto-ethyl)-31-(3-amino-3-keto-propyl)-51-(carboxymethyl)-33,39,42,78-tetrakis(3-guanidinopropyl)-90-(4-hydroxybenzyl)-28-isobutyl-2,5,8,11,14,20,23,26,29,32,34,37,40,43,46,49,52,55,61,64,67,70,73,76,79,82,85,88,91-nonacosaketo-66-methyl-7,48-dimethylol-25,72-bis[(1S)-1-methylpropyl]-2a,3a,94,95,98,99-hexathia-3,6,9,12,15,21,24,27,30,35,38,41,44,47,50,53,56,62,65,68,71,74,77,80,83,86,89,92-octacosazahexacyclo[52.38.4.413,69.436,75.015,19.056,60]tetrahectan-45-yl]acetic acid > InChI=1S/C121H193N43O38S6/c1-8-57(5)92-114(199)154-68(38-56(3)4)104(189)147-63(29-30-83(123)168)94(179)62(18-12-32-133-118(125)126)96(181)157-76-51-204-205-52-77-110(195)148-64(20-13-33-134-119(127)128)97(182)137-44-87(172)144-70(40-84(124)169)98(183)138-45-86(171)143-69(39-60-25-27-61(167)28-26-60)105(190)158-75-50-203-208-55-80(160-107(192)72(42-91(177)178)153-108(193)74(49-166)155-106(191)71(41-90(175)176)152-102(187)67(22-15-35-136-121(131)132)149-101(186)66(150-109(76)194)21-14-34-135-120(129)130)117(202)163-36-16-23-81(163)112(197)141-43-85(170)142-59(7)95(180)156-78(111(196)162-93(58(6)9-2)115(200)159-77)53-206-207-54-79(146-89(174)47-139-99(184)73(48-165)145-88(173)46-140-100(75)185)116(201)164-37-17-24-82(164)113(198)151-65(103(188)161-92)19-10-11-31-122/h25-28,56-59,62-82,92-93,165-167H,8-24,29-55,122H2,1-7H3,(H2,123,168)(H2,124,169)(H,137,182)(H,138,183)(H,139,184)(H,140,185)(H,141,197)(H,142,170)(H,143,171)(H,144,172)(H,145,173)(H,146,174)(H,147,189)(H,148,195)(H,149,186)(H,150,194)(H,151,198)(H,152,187)(H,153,193)(H,154,199)(H,155,191)(H,156,180)(H,157,181)(H,158,190)(H,159,200)(H,160,192)(H,161,188)(H,162,196)(H,175,176)(H,177,178)(H4,125,126,133)(H4,127,128,134)(H4,129,130,135)(H4,131,132,136)/t57-,58-,59-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,92-,93-/m0/s1 > MJQHXVMFRAQLJL-MKMUQUSSSA-N > -15 > 3049.2849507 > C121H193N43O38S6 > 3050.5 > 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)NCC(=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)NCC(=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 > 1460 > 3048.2815959 > 0 > 208 > 26 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 105 233 6 107 114 6 108 235 5 116 118 6 124 131 5 127 133 5 128 269 5 132 146 5 135 139 5 140 288 6 141 153 5 143 155 6 150 301 5 151 159 5 158 314 6 163 323 5 169 176 6 170 174 6 172 177 5 175 180 5 183 185 5 186 193 8 186 194 8 193 197 8 194 198 8 197 200 8 198 200 8 202 206 5 88 209 6 94 216 6 95 217 6 96 100 6 $$$$