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2-[(1R,7S,10S,13S,16S,19S,21S,24R,27S,30S,33S,36S,39S,42R,45S,48S,54R,57S,60R,63S,69S,75S,78R,84S,90S)-10-(4-aminobutyl)-69-(2-amino-2-oxo-ethyl)-19-(3-amino-3-oxo-propyl)-39-(carboxymethyl)-21,27,30,63-tetrakis(3-guanidinopropyl)-36,84-bis(hydroxymethyl)-75-[(4-hydroxyphenyl)methyl]-16,45,57-triisobutyl-90-isopropyl-48-methyl-13-[(1S)-1-methylpropyl]-2,8,11,14,17,20,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91-triacontaoxo-2a,3a,94,95,98,99-hexathia-3,9,12,15,18,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92-nonacosazapentacyclo[52.38.4.424,60.442,78.03,7]tetrahectan-33-yl]acetic acid > 2-[(1R,7S,10S,13S,16S,19S,21S,24R,27S,30S,33S,36S,39S,42R,45S,48S,54R,57S,60R,63S,69S,75S,78R,84S,90S)-10-(4-aminobutyl)-69-(2-amino-2-oxoethyl)-19-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-21,27,30,63-tetrakis(3-carbamimidamidopropyl)-39-(carboxymethyl)-36,84-bis(hydroxymethyl)-75-[(4-hydroxyphenyl)methyl]-48-methyl-16,45,57-tris(2-methylpropyl)-2,8,11,14,17,20,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91-triacontaoxo-90-propan-2-yl-2a,3a,94,95,98,99-hexathia-3,9,12,15,18,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92-nonacosazapentacyclo[52.38.4.424,60.442,78.03,7]tetrahectan-33-yl]acetic acid > 2-[(1R,7S,10S,13S,16S,19S,21S,24R,27S,30S,33S,36S,39S,42R,45S,48S,54R,57S,60R,63S,69S,75S,78R,84S,90S)-10-(4-aminobutyl)-69-(2-amino-2-oxoethyl)-19-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-21,27,30,63-tetrakis(3-carbamimidamidopropyl)-39-(carboxymethyl)-36,84-bis(hydroxymethyl)-75-[(4-hydroxyphenyl)methyl]-48-methyl-16,45,57-tris(2-methylpropyl)-2,8,11,14,17,20,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91-triacontaoxo-90-propan-2-yl-2a,3a,94,95,98,99-hexathia-3,9,12,15,18,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92-nonacosazapentacyclo[52.38.4.424,60.442,78.03,7]tetrahectan-33-yl]acetic acid > 2-[(1R,7S,10S,13S,16S,19S,21S,24R,27S,30S,33S,36S,39S,42R,45S,48S,54R,57S,60R,63S,69S,75S,78R,84S,90S)-10-(4-aminobutyl)-69-(2-amino-2-oxoethyl)-19-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-21,27,30,63-tetrakis(3-carbamimidamidopropyl)-39-(carboxymethyl)-36,84-bis(hydroxymethyl)-75-[(4-hydroxyphenyl)methyl]-48-methyl-16,45,57-tris(2-methylpropyl)-2,8,11,14,17,20,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91-triacontaoxo-90-propan-2-yl-2a,3a,94,95,98,99-hexathia-3,9,12,15,18,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92-nonacosazapentacyclo[52.38.4.424,60.442,78.03,7]tetrahectan-33-yl]acetic acid > 2-[(1R,7S,10S,13S,16S,19S,21S,24R,27S,30S,33S,36S,39S,42R,45S,48S,54R,57S,60R,63S,69S,75S,78R,84S,90S)-10-(4-azanylbutyl)-69-(2-azanyl-2-oxidanylidene-ethyl)-19-(3-azanyl-3-oxidanylidene-propyl)-13-[(2S)-butan-2-yl]-21,27,30,63-tetrakis(3-carbamimidamidopropyl)-36,84-bis(hydroxymethyl)-39-(2-hydroxy-2-oxoethyl)-75-[(4-hydroxyphenyl)methyl]-48-methyl-16,45,57-tris(2-methylpropyl)-2,8,11,14,17,20,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91-triacontakis(oxidanylidene)-90-propan-2-yl-2a,3a,94,95,98,99-hexathia-3,9,12,15,18,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92-nonacosazapentacyclo[52.38.4.424,60.442,78.03,7]tetrahectan-33-yl]ethanoic acid > 2-[(1R,7S,10S,13S,16S,19S,21S,24R,27S,30S,33S,36S,39S,42R,45S,48S,54R,57S,60R,63S,69S,75S,78R,84S,90S)-10-(4-aminobutyl)-69-(2-amino-2-keto-ethyl)-19-(3-amino-3-keto-propyl)-39-(carboxymethyl)-21,27,30,63-tetrakis(3-guanidinopropyl)-75-(4-hydroxybenzyl)-16,45,57-triisobutyl-90-isopropyl-2,8,11,14,17,20,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91-triacontaketo-48-methyl-36,84-dimethylol-13-[(1S)-1-methylpropyl]-2a,3a,94,95,98,99-hexathia-3,9,12,15,18,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92-nonacosazapentacyclo[52.38.4.424,60.442,78.03,7]tetrahectan-33-yl]acetic acid > InChI=1S/C127H206N44O39S6/c1-12-62(10)98-122(209)162-74(40-60(6)7)110(197)153-67(30-31-88(129)175)99(186)66(20-15-33-139-124(131)132)101(188)164-83-54-213-215-55-84-118(205)154-68(22-16-34-140-125(133)134)102(189)144-46-91(178)150-76(42-89(130)176)103(190)145-47-90(177)149-75(41-64-26-28-65(174)29-27-64)112(199)165-81-52-211-214-56-85(167-114(201)78(44-96(184)185)161-115(202)80(51-173)163-113(200)77(43-95(182)183)160-107(194)71(24-18-36-142-127(137)138)155-106(193)70(156-117(83)204)23-17-35-141-126(135)136)119(206)158-72(38-58(2)3)109(196)148-63(11)100(187)143-45-93(180)152-82(116(203)159-73(39-59(4)5)111(198)166-84)53-212-216-57-86(123(210)171-37-19-25-87(171)120(207)157-69(108(195)170-98)21-13-14-32-128)168-121(208)97(61(8)9)169-94(181)49-146-104(191)79(50-172)151-92(179)48-147-105(81)192/h26-29,58-63,66-87,97-98,172-174H,12-25,30-57,128H2,1-11H3,(H2,129,175)(H2,130,176)(H,143,187)(H,144,189)(H,145,190)(H,146,191)(H,147,192)(H,148,196)(H,149,177)(H,150,178)(H,151,179)(H,152,180)(H,153,197)(H,154,205)(H,155,193)(H,156,204)(H,157,207)(H,158,206)(H,159,203)(H,160,194)(H,161,202)(H,162,209)(H,163,200)(H,164,188)(H,165,199)(H,166,198)(H,167,201)(H,168,208)(H,169,181)(H,170,195)(H,182,183)(H,184,185)(H4,131,132,139)(H4,133,134,140)(H4,135,136,141)(H4,137,138,142)/t62-,63-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,97-,98-/m0/s1 > KNHRLUWARSJCEG-PRVUWUAHSA-N > -13.3 > 3164.3846648 > C127H206N44O39S6 > 3165.7 > 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)NC(C(=O)NC(C(=O)NCC(=O)NC(CSSCC(C(=O)N5CCCC5C(=O)NC(C(=O)N1)CCCCN)NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC4=O)CO)C(C)C)C(=O)NC(C(=O)N3)CC(C)C)C)CC(C)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)CC6=CC=C(C=C6)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)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CSSC[C@@H](C(=O)N5CCC[C@H]5C(=O)N[C@H](C(=O)N1)CCCCN)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC4=O)CO)C(C)C)C(=O)N[C@H](C(=O)N3)CC(C)C)C)CC(C)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)CC6=CC=C(C=C6)O)CC(=O)N)CCCNC(=N)N)CCCNC(=N)N)CCC(=O)N)CC(C)C > 1500 > 3163.3813100 > 0 > 216 > 26 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 102 234 5 103 110 6 105 107 6 112 115 6 121 126 6 124 275 6 128 129 5 134 135 6 141 148 6 142 298 5 150 313 6 151 153 6 160 167 6 161 165 6 163 166 6 170 174 6 179 187 6 180 365 6 186 374 5 191 201 6 194 204 6 195 202 6 203 205 6 206 211 8 206 212 8 211 214 8 212 215 8 214 216 8 215 216 8 90 217 5 96 224 5 97 98 6 $$$$