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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)-69-(2-amino-2-oxo-ethyl)-19-(3-amino-3-oxo-propyl)-39-(carboxymethyl)-10,21,27,30,63-pentakis(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)-69-(2-amino-2-oxoethyl)-19-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-10,21,27,30,63-pentakis(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)-69-(2-amino-2-oxoethyl)-19-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-10,21,27,30,63-pentakis(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)-69-(2-amino-2-oxoethyl)-19-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-10,21,27,30,63-pentakis(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)-69-(2-azanyl-2-oxidanylidene-ethyl)-19-(3-azanyl-3-oxidanylidene-propyl)-13-[(2S)-butan-2-yl]-10,21,27,30,63-pentakis(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)-69-(2-amino-2-keto-ethyl)-19-(3-amino-3-keto-propyl)-39-(carboxymethyl)-10,21,27,30,63-pentakis(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/C127H206N46O39S6/c1-12-61(10)97-121(211)164-73(39-59(6)7)109(199)155-66(29-30-87(128)177)98(188)65(19-13-31-140-123(130)131)100(190)166-82-53-215-217-54-83-117(207)156-67(20-14-32-141-124(132)133)101(191)146-45-90(180)152-75(41-88(129)178)102(192)147-46-89(179)151-74(40-63-25-27-64(176)28-26-63)111(201)167-80-51-213-216-55-84(169-113(203)77(43-95(186)187)163-114(204)79(50-175)165-112(202)76(42-94(184)185)162-106(196)69(22-16-34-143-126(136)137)157-105(195)68(158-116(82)206)21-15-33-142-125(134)135)118(208)160-71(37-57(2)3)108(198)150-62(11)99(189)145-44-92(182)154-81(115(205)161-72(38-58(4)5)110(200)168-83)52-214-218-56-85(122(212)173-36-18-24-86(173)119(209)159-70(107(197)172-97)23-17-35-144-127(138)139)170-120(210)96(60(8)9)171-93(183)48-148-103(193)78(49-174)153-91(181)47-149-104(80)194/h25-28,57-62,65-86,96-97,174-176H,12-24,29-56H2,1-11H3,(H2,128,177)(H2,129,178)(H,145,189)(H,146,191)(H,147,192)(H,148,193)(H,149,194)(H,150,198)(H,151,179)(H,152,180)(H,153,181)(H,154,182)(H,155,199)(H,156,207)(H,157,195)(H,158,206)(H,159,209)(H,160,208)(H,161,205)(H,162,196)(H,163,204)(H,164,211)(H,165,202)(H,166,190)(H,167,201)(H,168,200)(H,169,203)(H,170,210)(H,171,183)(H,172,197)(H,184,185)(H,186,187)(H4,130,131,140)(H4,132,133,141)(H4,134,135,142)(H4,136,137,143)(H4,138,139,144)/t61-,62-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,96-,97-/m0/s1 > IZMOZMTXNHMTIR-FSMKSGFCSA-N > -11.6 > 3192.3908128 > C127H206N46O39S6 > 3193.7 > 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)CCCNC(=N)N)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)CCCNC(=N)N)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 > 1540 > 3191.3874580 > 0 > 218 > 26 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 104 236 5 105 112 6 107 108 6 113 116 6 122 128 6 126 274 6 130 131 5 136 137 6 143 150 6 144 300 5 152 315 6 153 156 6 162 169 6 163 167 6 165 168 6 172 176 6 181 189 6 182 367 6 188 376 5 193 203 6 196 206 6 197 204 6 205 207 6 208 213 8 208 214 8 213 216 8 214 217 8 216 218 8 217 218 8 92 219 5 98 226 5 99 100 6 $$$$