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3-[(1R,4S,7S,13R,16S,22S,25S,28S,31S,34R,37S,40S,43S,46S,49R,52S,55R,61S,64S,67S,70S,73S,76R,79S,85S,88S,91S)-40,46-bis(4-aminobutyl)-43-(2-amino-2-oxo-ethyl)-28-(3-guanidinopropyl)-4,52,70-tris(hydroxymethyl)-31-[(4-hydroxyphenyl)methyl]-88-(1H-indol-3-ylmethyl)-37,91-diisopropyl-25,64,67-trimethyl-22,61,73,85-tetrakis[(1S)-1-methylpropyl]-3,6,9,12,15,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,84,87,90,93-nonacosaoxo-a,3a,4a,95,96,99-hexathia-2,5,8,11,14,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,83,86,89,92-nonacosazahexacyclo[47.44.4.413,55.434,76.016,20.079,83]pentahectan-7-yl]propanoic acid > 3-[(1R,4S,7S,13R,16S,22S,25S,28S,31S,34R,37S,40S,43S,46S,49R,52S,55R,61S,64S,67S,70S,73S,76R,79S,85S,88S,91S)-40,46-bis(4-aminobutyl)-43-(2-amino-2-oxoethyl)-22,61,73,85-tetrakis[(2S)-butan-2-yl]-28-(3-carbamimidamidopropyl)-4,52,70-tris(hydroxymethyl)-31-[(4-hydroxyphenyl)methyl]-88-(1H-indol-3-ylmethyl)-25,64,67-trimethyl-3,6,9,12,15,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,84,87,90,93-nonacosaoxo-37,91-di(propan-2-yl)-a,3a,4a,95,96,99-hexathia-2,5,8,11,14,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,83,86,89,92-nonacosazahexacyclo[47.44.4.413,55.434,76.016,20.079,83]pentahectan-7-yl]propanoic acid > 3-[(1R,4S,7S,13R,16S,22S,25S,28S,31S,34R,37S,40S,43S,46S,49R,52S,55R,61S,64S,67S,70S,73S,76R,79S,85S,88S,91S)-40,46-bis(4-aminobutyl)-43-(2-amino-2-oxoethyl)-22,61,73,85-tetrakis[(2S)-butan-2-yl]-28-(3-carbamimidamidopropyl)-4,52,70-tris(hydroxymethyl)-31-[(4-hydroxyphenyl)methyl]-88-(1H-indol-3-ylmethyl)-25,64,67-trimethyl-3,6,9,12,15,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,84,87,90,93-nonacosaoxo-37,91-di(propan-2-yl)-a,3a,4a,95,96,99-hexathia-2,5,8,11,14,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,83,86,89,92-nonacosazahexacyclo[47.44.4.413,55.434,76.016,20.079,83]pentahectan-7-yl]propanoic acid > 3-[(1R,4S,7S,13R,16S,22S,25S,28S,31S,34R,37S,40S,43S,46S,49R,52S,55R,61S,64S,67S,70S,73S,76R,79S,85S,88S,91S)-40,46-bis(4-aminobutyl)-43-(2-amino-2-oxoethyl)-22,61,73,85-tetrakis[(2S)-butan-2-yl]-28-(3-carbamimidamidopropyl)-4,52,70-tris(hydroxymethyl)-31-[(4-hydroxyphenyl)methyl]-88-(1H-indol-3-ylmethyl)-25,64,67-trimethyl-3,6,9,12,15,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,84,87,90,93-nonacosaoxo-37,91-di(propan-2-yl)-a,3a,4a,95,96,99-hexathia-2,5,8,11,14,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,83,86,89,92-nonacosazahexacyclo[47.44.4.413,55.434,76.016,20.079,83]pentahectan-7-yl]propanoic acid > 3-[(1R,4S,7S,13R,16S,22S,25S,28S,31S,34R,37S,40S,43S,46S,49R,52S,55R,61S,64S,67S,70S,73S,76R,79S,85S,88S,91S)-40,46-bis(4-azanylbutyl)-43-(2-azanyl-2-oxidanylidene-ethyl)-22,61,73,85-tetrakis[(2S)-butan-2-yl]-28-(3-carbamimidamidopropyl)-4,52,70-tris(hydroxymethyl)-31-[(4-hydroxyphenyl)methyl]-88-(1H-indol-3-ylmethyl)-25,64,67-trimethyl-3,6,9,12,15,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,84,87,90,93-nonacosakis(oxidanylidene)-37,91-di(propan-2-yl)-a,3a,4a,95,96,99-hexathia-2,5,8,11,14,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,83,86,89,92-nonacosazahexacyclo[47.44.4.413,55.434,76.016,20.079,83]pentahectan-7-yl]propanoic acid > 3-[(1R,4S,7S,13R,16S,22S,25S,28S,31S,34R,37S,40S,43S,46S,49R,52S,55R,61S,64S,67S,70S,73S,76R,79S,85S,88S,91S)-40,46-bis(4-aminobutyl)-43-(2-amino-2-keto-ethyl)-28-(3-guanidinopropyl)-31-(4-hydroxybenzyl)-88-(1H-indol-3-ylmethyl)-37,91-diisopropyl-3,6,9,12,15,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,84,87,90,93-nonacosaketo-25,64,67-trimethyl-4,52,70-trimethylol-22,61,73,85-tetrakis[(1S)-1-methylpropyl]-a,3a,4a,95,96,99-hexathia-2,5,8,11,14,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,83,86,89,92-nonacosazahexacyclo[47.44.4.413,55.434,76.016,20.079,83]pentahectan-7-yl]propionic acid > InChI=1S/C131H204N36O36S6/c1-16-64(9)100-125(198)140-52-96(174)145-87-57-205-204-56-86-107(180)139-51-95(173)144-79(40-41-97(175)176)110(183)152-84(54-169)116(189)156-90-60-208-206-58-88(155-117(190)85(55-170)153-118(87)191)119(192)148-76(31-22-24-42-132)109(182)150-82(49-94(134)172)113(186)146-77(32-23-25-43-133)111(184)160-99(63(7)8)127(200)159-89(120(193)149-80(47-71-36-38-73(171)39-37-71)112(185)147-78(33-26-44-137-131(135)136)108(181)142-70(15)106(179)164-102(66(11)18-3)129(202)166-45-27-34-92(166)123(196)157-86)59-207-209-61-91(122(195)163-101(65(10)17-2)128(201)154-83(53-168)115(188)143-68(13)104(177)141-69(14)105(178)162-100)158-124(197)93-35-28-46-167(93)130(203)103(67(12)19-4)165-114(187)81(151-126(199)98(62(5)6)161-121(90)194)48-72-50-138-75-30-21-20-29-74(72)75/h20-21,29-30,36-39,50,62-70,76-93,98-103,138,168-171H,16-19,22-28,31-35,40-49,51-61,132-133H2,1-15H3,(H2,134,172)(H,139,180)(H,140,198)(H,141,177)(H,142,181)(H,143,188)(H,144,173)(H,145,174)(H,146,186)(H,147,185)(H,148,192)(H,149,193)(H,150,182)(H,151,199)(H,152,183)(H,153,191)(H,154,201)(H,155,190)(H,156,189)(H,157,196)(H,158,197)(H,159,200)(H,160,184)(H,161,194)(H,162,178)(H,163,195)(H,164,179)(H,165,187)(H,175,176)(H4,135,136,137)/t64-,65-,66-,67-,68-,69-,70-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,98-,99-,100-,101-,102-,103-/m0/s1 > GKMYQVYOZWLZEC-SOLBYISXSA-N > -5.3 > 3050.3596788 > C131H204N36O36S6 > 3051.6 > CCC(C)C1C(=O)NCC(=O)NC2CSSCC3C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC4CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C)C)CO)C(C)CC)NC(=O)C5CCCN5C(=O)C(NC(=O)C(NC(=O)C(NC4=O)C(C)C)CC6=CNC7=CC=CC=C76)C(C)CC)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N8CCCC8C(=O)N3)C(C)CC)C)CCCNC(=N)N)CC9=CC=C(C=C9)O)C(C)C)CCCCN)CC(=O)N)CCCCN)NC(=O)C(NC2=O)CO)CO)CCC(=O)O > CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H]2CSSC[C@H]3C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]4CSSC[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](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C)C)CO)[C@@H](C)CC)NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC4=O)C(C)C)CC6=CNC7=CC=CC=C76)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N8CCC[C@H]8C(=O)N3)[C@@H](C)CC)C)CCCNC(=N)N)CC9=CC=C(C=C9)O)C(C)C)CCCCN)CC(=O)N)CCCCN)NC(=O)[C@@H](NC2=O)CO)CO)CCC(=O)O > 1270 > 3049.3563240 > 0 > 209 > 31 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 102 106 5 103 247 6 109 117 5 111 259 6 112 118 8 112 121 8 114 123 5 116 120 5 118 124 8 118 127 8 124 133 8 126 132 5 127 137 8 133 138 8 134 146 6 137 138 8 140 302 5 141 303 6 143 151 5 152 318 5 153 156 5 154 161 6 157 165 5 160 168 8 160 169 8 162 170 5 168 181 8 169 182 8 174 185 5 176 183 5 178 353 5 181 187 8 182 187 8 186 198 5 188 365 6 190 200 5 194 201 5 197 204 5 53 121 8 53 124 8 79 210 6 83 217 6 84 218 6 89 96 6 91 226 6 93 99 5 98 238 5 $$$$