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2-[(1R,5aS,7S,10S,13S,16S,19S,21S,24R,27S,30S,33S,36S,39S,42R,48S,54S,57R,60S,63R,66S,72S,78S,81R,87S,93S,96S)-72-(2-amino-2-oxo-ethyl)-19-(3-amino-3-oxo-propyl)-39,96-bis(carboxymethyl)-21,27,30,66-tetrakis(3-guanidinopropyl)-36,87,93-tris(hydroxymethyl)-78-[(4-hydroxyphenyl)methyl]-16-isobutyl-5a-isopropyl-10,54-dimethyl-13,60-bis[(1S)-1-methylpropyl]-a,2,3a,6a,8,11,14,17,20,22,25,28,31,34,37,40,43,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94,97-tetratriacontaoxo-9a,10a,13a,14a,17a,18a-hexathia-1a,3,4a,7a,9,12,15,18,23,26,29,32,35,38,41,44,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tritriacontazahexacyclo[55.50.4.424,63.442,81.03,7.044,48]nonadecahectan-33-yl]acetic acid > 2-[(1R,5aS,7S,10S,13S,16S,19S,21S,24R,27S,30S,33S,36S,39S,42R,48S,54S,57R,60S,63R,66S,72S,78S,81R,87S,93S,96S)-72-(2-amino-2-oxoethyl)-19-(3-amino-3-oxopropyl)-13,60-bis[(2S)-butan-2-yl]-21,27,30,66-tetrakis(3-carbamimidamidopropyl)-39,96-bis(carboxymethyl)-36,87,93-tris(hydroxymethyl)-78-[(4-hydroxyphenyl)methyl]-10,54-dimethyl-16-(2-methylpropyl)-a,2,3a,6a,8,11,14,17,20,22,25,28,31,34,37,40,43,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94,97-tetratriacontaoxo-5a-propan-2-yl-9a,10a,13a,14a,17a,18a-hexathia-1a,3,4a,7a,9,12,15,18,23,26,29,32,35,38,41,44,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tritriacontazahexacyclo[55.50.4.424,63.442,81.03,7.044,48]nonadecahectan-33-yl]acetic acid > 2-[(1R,5aS,7S,10S,13S,16S,19S,21S,24R,27S,30S,33S,36S,39S,42R,48S,54S,57R,60S,63R,66S,72S,78S,81R,87S,93S,96S)-72-(2-amino-2-oxoethyl)-19-(3-amino-3-oxopropyl)-13,60-bis[(2S)-butan-2-yl]-21,27,30,66-tetrakis(3-carbamimidamidopropyl)-39,96-bis(carboxymethyl)-36,87,93-tris(hydroxymethyl)-78-[(4-hydroxyphenyl)methyl]-10,54-dimethyl-16-(2-methylpropyl)-a,2,3a,6a,8,11,14,17,20,22,25,28,31,34,37,40,43,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94,97-tetratriacontaoxo-5a-propan-2-yl-9a,10a,13a,14a,17a,18a-hexathia-1a,3,4a,7a,9,12,15,18,23,26,29,32,35,38,41,44,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tritriacontazahexacyclo[55.50.4.424,63.442,81.03,7.044,48]nonadecahectan-33-yl]acetic acid > 2-[(1R,5aS,7S,10S,13S,16S,19S,21S,24R,27S,30S,33S,36S,39S,42R,48S,54S,57R,60S,63R,66S,72S,78S,81R,87S,93S,96S)-72-(2-amino-2-oxoethyl)-19-(3-amino-3-oxopropyl)-13,60-bis[(2S)-butan-2-yl]-21,27,30,66-tetrakis(3-carbamimidamidopropyl)-39,96-bis(carboxymethyl)-36,87,93-tris(hydroxymethyl)-78-[(4-hydroxyphenyl)methyl]-10,54-dimethyl-16-(2-methylpropyl)-a,2,3a,6a,8,11,14,17,20,22,25,28,31,34,37,40,43,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94,97-tetratriacontaoxo-5a-propan-2-yl-9a,10a,13a,14a,17a,18a-hexathia-1a,3,4a,7a,9,12,15,18,23,26,29,32,35,38,41,44,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tritriacontazahexacyclo[55.50.4.424,63.442,81.03,7.044,48]nonadecahectan-33-yl]acetic acid > 2-[(1R,5aS,7S,10S,13S,16S,19S,21S,24R,27S,30S,33S,36S,39S,42R,48S,54S,57R,60S,63R,66S,72S,78S,81R,87S,93S,96S)-72-(2-azanyl-2-oxidanylidene-ethyl)-19-(3-azanyl-3-oxidanylidene-propyl)-13,60-bis[(2S)-butan-2-yl]-21,27,30,66-tetrakis(3-carbamimidamidopropyl)-36,87,93-tris(hydroxymethyl)-39,96-bis(2-hydroxy-2-oxoethyl)-78-[(4-hydroxyphenyl)methyl]-10,54-dimethyl-16-(2-methylpropyl)-a,2,3a,6a,8,11,14,17,20,22,25,28,31,34,37,40,43,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94,97-tetratriacontakis(oxidanylidene)-5a-propan-2-yl-9a,10a,13a,14a,17a,18a-hexathia-1a,3,4a,7a,9,12,15,18,23,26,29,32,35,38,41,44,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tritriacontazahexacyclo[55.50.4.424,63.442,81.03,7.044,48]nonadecahectan-33-yl]ethanoic acid > 2-[(1R,5aS,7S,10S,13S,16S,19S,21S,24R,27S,30S,33S,36S,39S,42R,48S,54S,57R,60S,63R,66S,72S,78S,81R,87S,93S,96S)-72-(2-amino-2-keto-ethyl)-19-(3-amino-3-keto-propyl)-39,96-bis(carboxymethyl)-21,27,30,66-tetrakis(3-guanidinopropyl)-78-(4-hydroxybenzyl)-16-isobutyl-5a-isopropyl-a,2,3a,6a,8,11,14,17,20,22,25,28,31,34,37,40,43,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94,97-tetratriacontaketo-10,54-dimethyl-36,87,93-trimethylol-13,60-bis[(1S)-1-methylpropyl]-9a,10a,13a,14a,17a,18a-hexathia-1a,3,4a,7a,9,12,15,18,23,26,29,32,35,38,41,44,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tritriacontazahexacyclo[55.50.4.424,63.442,81.03,7.044,48]nonadecahectan-33-yl]acetic acid > InChI=1S/C134H211N47O46S6/c1-11-61(7)102-127(224)169-72(37-59(3)4)115(212)162-68(29-30-89(135)186)104(201)67(19-13-31-145-131(137)138)107(204)172-82-54-229-230-55-83-122(219)163-69(20-14-32-146-132(139)140)108(205)151-46-94(191)159-74(39-90(136)187)109(206)152-47-93(190)158-73(38-65-25-27-66(185)28-26-65)116(213)173-81-53-228-232-57-85(175-118(215)77(42-100(199)200)168-120(217)80(52-184)170-117(214)76(41-99(197)198)167-114(211)71(22-16-34-148-134(143)144)164-113(210)70(165-121(82)218)21-15-33-147-133(141)142)129(226)180-35-17-23-87(180)124(221)155-45-92(189)156-63(9)105(202)171-84(123(220)179-103(62(8)12-2)128(225)174-83)56-231-233-58-86(130(227)181-36-18-24-88(181)125(222)157-64(10)106(203)178-102)176-126(223)101(60(5)6)177-97(194)44-149-91(188)43-150-110(207)75(40-98(195)196)166-119(216)79(51-183)161-96(193)48-153-111(208)78(50-182)160-95(192)49-154-112(81)209/h25-28,59-64,67-88,101-103,182-185H,11-24,29-58H2,1-10H3,(H2,135,186)(H2,136,187)(H,149,188)(H,150,207)(H,151,205)(H,152,206)(H,153,208)(H,154,209)(H,155,221)(H,156,189)(H,157,222)(H,158,190)(H,159,191)(H,160,192)(H,161,193)(H,162,212)(H,163,219)(H,164,210)(H,165,218)(H,166,216)(H,167,211)(H,168,217)(H,169,224)(H,170,214)(H,171,202)(H,172,204)(H,173,213)(H,174,225)(H,175,215)(H,176,223)(H,177,194)(H,178,203)(H,179,220)(H,195,196)(H,197,198)(H,199,200)(H4,137,138,145)(H4,139,140,146)(H4,141,142,147)(H4,143,144,148)/t61-,62-,63-,64-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,101-,102-,103-/m0/s1 > FGXUMXGJSIEDLF-ZDRMGWELSA-N > -14.9 > 3407.3974143 > C134H211N47O46S6 > 3408.8 > CCC(C)C1C(=O)NC(C(=O)NC(C(=O)C(C(=O)NC2CSSCC3C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC4CSSCC(C(=O)N5CCCC5C(=O)NCC(=O)NC(C(=O)NC(CSSCC(C(=O)N6CCCC6C(=O)NC(C(=O)N1)C)NC(=O)C(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC4=O)CO)CO)CC(=O)O)C(C)C)C(=O)NC(C(=O)N3)C(C)CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CCCNC(=N)N)CCCNC(=N)N)CC(=O)O)CO)CC(=O)O)CC7=CC=C(C=C7)O)CC(=O)N)CCCNC(=N)N)CCCNC(=N)N)CCC(=O)N)CC(C)C > CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H](C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H]4CSSC[C@@H](C(=O)N5CCC[C@H]5C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N6CCC[C@H]6C(=O)N[C@H](C(=O)N1)C)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC4=O)CO)CO)CC(=O)O)C(C)C)C(=O)N[C@H](C(=O)N3)[C@@H](C)CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CCCNC(=N)N)CCCNC(=N)N)CC(=O)O)CO)CC(=O)O)CC7=CC=C(C=C7)O)CC(=O)N)CCCNC(=N)N)CCCNC(=N)N)CCC(=O)N)CC(C)C > 1640 > 3406.3940595 > 0 > 233 > 29 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 100 234 6 106 241 6 109 246 6 111 119 5 115 254 6 117 121 5 120 259 6 122 129 6 131 133 5 132 140 5 139 292 5 142 156 5 143 150 5 149 309 6 152 159 6 155 166 6 158 167 5 160 323 5 172 345 6 173 347 6 176 185 5 179 187 5 184 189 5 186 191 5 193 197 5 195 208 8 195 209 8 202 210 5 208 214 8 209 215 8 213 219 5 214 216 8 215 216 8 221 229 5 223 228 5 $$$$