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2-[(1R,7S,10S,13S,16S,19S,21S,24R,27S,30S,33S,36S,39S,42R,48S,54S,57R,60S,63R,66S,72S,78S,81R,87S,93S)-10-(4-aminobutyl)-72-(2-amino-2-oxo-ethyl)-19-(3-amino-3-oxo-propyl)-39-(carboxymethyl)-21,27,30,66-tetrakis(3-guanidinopropyl)-36,87-bis(hydroxymethyl)-78-[(4-hydroxyphenyl)methyl]-16-isobutyl-93-isopropyl-54-methyl-13,60-bis[(1S)-1-methylpropyl]-2,8,11,14,17,20,22,25,28,31,34,37,40,43,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94-triacontaoxo-1a,2a,5a,6a,97,98-hexathia-3,9,12,15,18,23,26,29,32,35,38,41,44,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95-nonacosazahexacyclo[55.38.4.424,63.442,81.03,7.044,48]heptahectan-33-yl]acetic acid > 2-[(1R,7S,10S,13S,16S,19S,21S,24R,27S,30S,33S,36S,39S,42R,48S,54S,57R,60S,63R,66S,72S,78S,81R,87S,93S)-10-(4-aminobutyl)-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-(carboxymethyl)-36,87-bis(hydroxymethyl)-78-[(4-hydroxyphenyl)methyl]-54-methyl-16-(2-methylpropyl)-2,8,11,14,17,20,22,25,28,31,34,37,40,43,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94-triacontaoxo-93-propan-2-yl-1a,2a,5a,6a,97,98-hexathia-3,9,12,15,18,23,26,29,32,35,38,41,44,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95-nonacosazahexacyclo[55.38.4.424,63.442,81.03,7.044,48]heptahectan-33-yl]acetic acid > 2-[(1R,7S,10S,13S,16S,19S,21S,24R,27S,30S,33S,36S,39S,42R,48S,54S,57R,60S,63R,66S,72S,78S,81R,87S,93S)-10-(4-aminobutyl)-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-(carboxymethyl)-36,87-bis(hydroxymethyl)-78-[(4-hydroxyphenyl)methyl]-54-methyl-16-(2-methylpropyl)-2,8,11,14,17,20,22,25,28,31,34,37,40,43,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94-triacontaoxo-93-propan-2-yl-1a,2a,5a,6a,97,98-hexathia-3,9,12,15,18,23,26,29,32,35,38,41,44,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95-nonacosazahexacyclo[55.38.4.424,63.442,81.03,7.044,48]heptahectan-33-yl]acetic acid > 2-[(1R,7S,10S,13S,16S,19S,21S,24R,27S,30S,33S,36S,39S,42R,48S,54S,57R,60S,63R,66S,72S,78S,81R,87S,93S)-10-(4-aminobutyl)-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-(carboxymethyl)-36,87-bis(hydroxymethyl)-78-[(4-hydroxyphenyl)methyl]-54-methyl-16-(2-methylpropyl)-2,8,11,14,17,20,22,25,28,31,34,37,40,43,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94-triacontaoxo-93-propan-2-yl-1a,2a,5a,6a,97,98-hexathia-3,9,12,15,18,23,26,29,32,35,38,41,44,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95-nonacosazahexacyclo[55.38.4.424,63.442,81.03,7.044,48]heptahectan-33-yl]acetic acid > 2-[(1R,7S,10S,13S,16S,19S,21S,24R,27S,30S,33S,36S,39S,42R,48S,54S,57R,60S,63R,66S,72S,78S,81R,87S,93S)-10-(4-azanylbutyl)-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-bis(hydroxymethyl)-39-(2-hydroxy-2-oxoethyl)-78-[(4-hydroxyphenyl)methyl]-54-methyl-16-(2-methylpropyl)-2,8,11,14,17,20,22,25,28,31,34,37,40,43,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94-triacontakis(oxidanylidene)-93-propan-2-yl-1a,2a,5a,6a,97,98-hexathia-3,9,12,15,18,23,26,29,32,35,38,41,44,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95-nonacosazahexacyclo[55.38.4.424,63.442,81.03,7.044,48]heptahectan-33-yl]ethanoic acid > 2-[(1R,7S,10S,13S,16S,19S,21S,24R,27S,30S,33S,36S,39S,42R,48S,54S,57R,60S,63R,66S,72S,78S,81R,87S,93S)-10-(4-aminobutyl)-72-(2-amino-2-keto-ethyl)-19-(3-amino-3-keto-propyl)-39-(carboxymethyl)-21,27,30,66-tetrakis(3-guanidinopropyl)-78-(4-hydroxybenzyl)-16-isobutyl-93-isopropyl-2,8,11,14,17,20,22,25,28,31,34,37,40,43,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94-triacontaketo-54-methyl-36,87-dimethylol-13,60-bis[(1S)-1-methylpropyl]-1a,2a,5a,6a,97,98-hexathia-3,9,12,15,18,23,26,29,32,35,38,41,44,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95-nonacosazahexacyclo[55.38.4.424,63.442,81.03,7.044,48]heptahectan-33-yl]acetic acid > InChI=1S/C126H202N44O39S6/c1-10-60(7)96-119(206)158-71(40-58(3)4)108(195)151-66(31-32-86(128)174)98(185)65(20-14-34-138-123(130)131)100(187)161-79-53-211-212-54-80-114(201)152-67(22-15-35-139-124(132)133)101(188)142-46-90(178)149-73(42-87(129)175)102(189)143-47-89(177)148-72(41-63-27-29-64(173)30-28-63)109(196)162-78-52-210-214-56-82(164-111(198)75(44-94(183)184)157-112(199)77(51-172)159-110(197)74(43-93(181)182)156-106(193)70(24-17-37-141-126(136)137)153-105(192)69(154-113(79)200)23-16-36-140-125(134)135)121(208)169-38-18-25-84(169)116(203)146-45-88(176)147-62(9)99(186)160-81(115(202)168-97(61(8)11-2)120(207)163-80)55-213-215-57-83(122(209)170-39-19-26-85(170)117(204)155-68(107(194)167-96)21-12-13-33-127)165-118(205)95(59(5)6)166-92(180)49-144-103(190)76(50-171)150-91(179)48-145-104(78)191/h27-30,58-62,65-85,95-97,171-173H,10-26,31-57,127H2,1-9H3,(H2,128,174)(H2,129,175)(H,142,188)(H,143,189)(H,144,190)(H,145,191)(H,146,203)(H,147,176)(H,148,177)(H,149,178)(H,150,179)(H,151,195)(H,152,201)(H,153,192)(H,154,200)(H,155,204)(H,156,193)(H,157,199)(H,158,206)(H,159,197)(H,160,186)(H,161,187)(H,162,196)(H,163,207)(H,164,198)(H,165,205)(H,166,180)(H,167,194)(H,168,202)(H,181,182)(H,183,184)(H4,130,131,138)(H4,132,133,139)(H4,134,135,140)(H4,136,137,141)/t60-,61-,62-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,95-,96-,97-/m0/s1 > IZSYEWANAPDMBE-QLFKLSCLSA-N > -14.3 > 3148.3533647 > C126H202N44O39S6 > 3149.6 > 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(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)C(C)C)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](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)C(C)C)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 > 1490 > 3147.3500098 > 0 > 215 > 27 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 106 240 6 107 117 6 111 114 6 113 246 5 120 123 6 131 138 5 132 281 5 133 139 5 140 149 5 142 146 5 145 301 6 147 159 6 156 165 5 157 319 5 162 170 5 164 327 6 167 335 5 174 183 6 176 181 6 179 185 5 182 189 5 186 191 5 193 201 8 193 202 8 201 204 8 202 205 8 204 207 8 205 207 8 209 213 5 90 216 6 96 223 6 97 100 6 98 226 6 $$$$