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3-[(1R,7S,13S,16S,19R,25S,28S,31S,34S,37S,40S,46R,49S,52S,58R,61S,64S,67R,70S,73S,76S,79S,82R,85S)-73,79-bis(4-aminobutyl)-58-(2-amino-2-oxo-ethyl)-16,28,61-tribenzyl-37,76,85-tris(hydroxymethyl)-64-[(4-hydroxyphenyl)methyl]-25-isobutyl-31,70-diisopropyl-49-methyl-13,52-bis[(1S)-1-methylpropyl]-3,6,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87-octacosaoxo-89,90,93,94,97,98-hexathia-2,5,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86-octacosazapentacyclo[44.41.4.419,67.434,82.07,11]nonanonacontan-40-yl]propanoic acid > 3-[(1R,7S,13S,16S,19R,25S,28S,31S,34S,37S,40S,46R,49S,52S,58R,61S,64S,67R,70S,73S,76S,79S,82R,85S)-73,79-bis(4-aminobutyl)-58-(2-amino-2-oxoethyl)-13,52-bis[(2S)-butan-2-yl]-37,76,85-tris(hydroxymethyl)-64-[(4-hydroxyphenyl)methyl]-49-methyl-25-(2-methylpropyl)-3,6,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87-octacosaoxo-16,28,61-tris(phenylmethyl)-31,70-di(propan-2-yl)-89,90,93,94,97,98-hexathia-2,5,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86-octacosazapentacyclo[44.41.4.419,67.434,82.07,11]nonanonacontan-40-yl]propanoic acid > 3-[(1R,7S,13S,16S,19R,25S,28S,31S,34S,37S,40S,46R,49S,52S,58R,61S,64S,67R,70S,73S,76S,79S,82R,85S)-73,79-bis(4-aminobutyl)-58-(2-amino-2-oxoethyl)-16,28,61-tribenzyl-13,52-bis[(2S)-butan-2-yl]-37,76,85-tris(hydroxymethyl)-64-[(4-hydroxyphenyl)methyl]-49-methyl-25-(2-methylpropyl)-3,6,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87-octacosaoxo-31,70-di(propan-2-yl)-89,90,93,94,97,98-hexathia-2,5,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86-octacosazapentacyclo[44.41.4.419,67.434,82.07,11]nonanonacontan-40-yl]propanoic acid > 3-[(1R,7S,13S,16S,19R,25S,28S,31S,34S,37S,40S,46R,49S,52S,58R,61S,64S,67R,70S,73S,76S,79S,82R,85S)-73,79-bis(4-aminobutyl)-58-(2-amino-2-oxoethyl)-16,28,61-tribenzyl-13,52-bis[(2S)-butan-2-yl]-37,76,85-tris(hydroxymethyl)-64-[(4-hydroxyphenyl)methyl]-49-methyl-25-(2-methylpropyl)-3,6,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87-octacosaoxo-31,70-di(propan-2-yl)-89,90,93,94,97,98-hexathia-2,5,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86-octacosazapentacyclo[44.41.4.419,67.434,82.07,11]nonanonacontan-40-yl]propanoic acid > 3-[(1R,7S,13S,16S,19R,25S,28S,31S,34S,37S,40S,46R,49S,52S,58R,61S,64S,67R,70S,73S,76S,79S,82R,85S)-73,79-bis(4-azanylbutyl)-58-(2-azanyl-2-oxidanylidene-ethyl)-13,52-bis[(2S)-butan-2-yl]-37,76,85-tris(hydroxymethyl)-64-[(4-hydroxyphenyl)methyl]-49-methyl-25-(2-methylpropyl)-3,6,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87-octacosakis(oxidanylidene)-16,28,61-tris(phenylmethyl)-31,70-di(propan-2-yl)-89,90,93,94,97,98-hexathia-2,5,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86-octacosazapentacyclo[44.41.4.419,67.434,82.07,11]nonanonacontan-40-yl]propanoic acid > 3-[(1R,7S,13S,16S,19R,25S,28S,31S,34S,37S,40S,46R,49S,52S,58R,61S,64S,67R,70S,73S,76S,79S,82R,85S)-73,79-bis(4-aminobutyl)-58-(2-amino-2-keto-ethyl)-16,28,61-tribenzyl-64-(4-hydroxybenzyl)-25-isobutyl-31,70-diisopropyl-3,6,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87-octacosaketo-49-methyl-37,76,85-trimethylol-13,52-bis[(1S)-1-methylpropyl]-89,90,93,94,97,98-hexathia-2,5,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86-octacosazapentacyclo[44.41.4.419,67.434,82.07,11]nonanonacontan-40-yl]propionic acid > InChI=1S/C128H187N31O35S6/c1-12-68(9)103-127(193)136-70(11)105(171)151-88-59-195-196-61-90-120(186)150-87(58-162)118(184)152-91-62-198-200-64-93(153-117(183)86(57-161)149-110(176)78(41-42-100(169)170)137-96(165)52-134-108(88)174)123(189)157-101(66(5)6)125(191)147-82(48-72-30-19-15-20-31-72)114(180)142-79(46-65(3)4)106(172)132-53-97(166)138-89(119(185)145-83(49-73-32-21-16-22-33-73)115(181)158-104(69(10)13-2)128(194)159-45-27-36-94(159)124(190)135-54-98(167)139-90)60-197-199-63-92(154-126(192)102(67(7)8)156-111(177)77(35-24-26-44-130)140-116(182)85(56-160)148-109(175)76(141-121(91)187)34-23-25-43-129)122(188)144-81(50-74-37-39-75(163)40-38-74)112(178)143-80(47-71-28-17-14-18-29-71)113(179)146-84(51-95(131)164)107(173)133-55-99(168)155-103/h14-22,28-33,37-40,65-70,76-94,101-104,160-163H,12-13,23-27,34-36,41-64,129-130H2,1-11H3,(H2,131,164)(H,132,172)(H,133,173)(H,134,174)(H,135,190)(H,136,193)(H,137,165)(H,138,166)(H,139,167)(H,140,182)(H,141,187)(H,142,180)(H,143,178)(H,144,188)(H,145,185)(H,146,179)(H,147,191)(H,148,175)(H,149,176)(H,150,186)(H,151,171)(H,152,184)(H,153,183)(H,154,192)(H,155,168)(H,156,177)(H,157,189)(H,158,181)(H,169,170)/t68-,69-,70-,76-,77-,78-,79-,80-,81-,82-,83-,84+,85-,86-,87-,88-,89-,90-,91-,92-,93+,94-,101-,102-,103-,104-/m0/s1 > AXGAZCWAIVSFHO-OHTGTQMRSA-N > -3.6 > 2911.2163686 > C128H187N31O35S6 > 2912.4 > CCC(C)C1C(=O)NC(C(=O)NC2CSSCC3C(=O)NC(C(=O)NC4CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CC(=O)N)CC5=CC=CC=C5)CC6=CC=C(C=C6)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC4=O)CCCCN)CO)CCCCN)C(C)C)C(=O)NC(C(=O)NC(C(=O)N7CCCC7C(=O)NCC(=O)N3)C(C)CC)CC8=CC=CC=C8)CC(C)C)CC9=CC=CC=C9)C(C)C)NC(=O)C(NC(=O)C(NC(=O)CNC2=O)CCC(=O)O)CO)CO)C > CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H]2CSSC[C@H]3C(=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)NCC(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC(=O)N1)CC(=O)N)CC5=CC=CC=C5)CC6=CC=C(C=C6)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC4=O)CCCCN)CO)CCCCN)C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N7CCC[C@H]7C(=O)NCC(=O)N3)[C@@H](C)CC)CC8=CC=CC=C8)CC(C)C)CC9=CC=CC=C9)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC2=O)CCC(=O)O)CO)CO)C > 1170 > 2910.2130138 > 0 > 200 > 26 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 102 104 5 108 112 6 109 251 6 111 253 5 113 256 6 116 120 5 125 131 6 126 129 5 127 137 6 128 136 5 135 155 6 138 141 6 145 162 5 146 166 8 146 167 8 149 309 5 151 169 6 152 313 6 153 171 8 153 172 8 158 170 6 166 178 8 167 179 8 171 184 8 172 185 8 174 183 5 176 190 5 178 187 8 179 187 8 181 194 8 181 195 8 182 192 5 184 189 8 185 189 8 194 196 8 195 197 8 196 200 8 197 200 8 73 201 6 77 208 6 79 82 5 85 87 5 89 93 8 89 94 8 91 227 6 92 228 6 93 97 8 94 98 8 97 100 8 98 100 8 $$$$