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3-[(1R,4S,7R,13S,16S,22S,25R,28S,34S,37S,46S,49S,52S,55S,58R,64S,67S,70R,73S,76S,82S,85R,88S,91S,94S)-13,37-bis(2-amino-2-oxo-ethyl)-52,73-dibenzyl-55-(carboxymethyl)-34,46,67,82,91-pentakis[(1R)-1-hydroxyethyl]-4-(hydroxymethyl)-28,88-bis[(4-hydroxyphenyl)methyl]-16-(1H-indol-3-ylmethyl)-22,76-diisobutyl-94-methyl-49-[(1S)-1-methylpropyl]-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tritriacontaoxo-1a,2a,5a,6a,9a,10a-hexathia-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99-tritriacontazatetracyclo[56.41.4.47,70.425,85]hendecahectan-64-yl]propanoic acid > 3-[(1R,4S,7R,13S,16S,22S,25R,28S,34S,37S,46S,49S,52S,55S,58R,64S,67S,70R,73S,76S,82S,85R,88S,91S,94S)-13,37-bis(2-amino-2-oxoethyl)-49-[(2S)-butan-2-yl]-55-(carboxymethyl)-34,46,67,82,91-pentakis[(1R)-1-hydroxyethyl]-4-(hydroxymethyl)-28,88-bis[(4-hydroxyphenyl)methyl]-16-(1H-indol-3-ylmethyl)-94-methyl-22,76-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tritriacontaoxo-52,73-bis(phenylmethyl)-1a,2a,5a,6a,9a,10a-hexathia-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99-tritriacontazatetracyclo[56.41.4.47,70.425,85]hendecahectan-64-yl]propanoic acid > 3-[(1R,4S,7R,13S,16S,22S,25R,28S,34S,37S,46S,49S,52S,55S,58R,64S,67S,70R,73S,76S,82S,85R,88S,91S,94S)-13,37-bis(2-amino-2-oxoethyl)-52,73-dibenzyl-49-[(2S)-butan-2-yl]-55-(carboxymethyl)-34,46,67,82,91-pentakis[(1R)-1-hydroxyethyl]-4-(hydroxymethyl)-28,88-bis[(4-hydroxyphenyl)methyl]-16-(1H-indol-3-ylmethyl)-94-methyl-22,76-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tritriacontaoxo-1a,2a,5a,6a,9a,10a-hexathia-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99-tritriacontazatetracyclo[56.41.4.47,70.425,85]hendecahectan-64-yl]propanoic acid > 3-[(1R,4S,7R,13S,16S,22S,25R,28S,34S,37S,46S,49S,52S,55S,58R,64S,67S,70R,73S,76S,82S,85R,88S,91S,94S)-13,37-bis(2-amino-2-oxoethyl)-52,73-dibenzyl-49-[(2S)-butan-2-yl]-55-(carboxymethyl)-34,46,67,82,91-pentakis[(1R)-1-hydroxyethyl]-4-(hydroxymethyl)-28,88-bis[(4-hydroxyphenyl)methyl]-16-(1H-indol-3-ylmethyl)-94-methyl-22,76-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tritriacontaoxo-1a,2a,5a,6a,9a,10a-hexathia-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99-tritriacontazatetracyclo[56.41.4.47,70.425,85]hendecahectan-64-yl]propanoic acid > 3-[(1R,4S,7R,13S,16S,22S,25R,28S,34S,37S,46S,49S,52S,55S,58R,64S,67S,70R,73S,76S,82S,85R,88S,91S,94S)-13,37-bis(2-azanyl-2-oxidanylidene-ethyl)-49-[(2S)-butan-2-yl]-4-(hydroxymethyl)-55-(2-hydroxy-2-oxoethyl)-28,88-bis[(4-hydroxyphenyl)methyl]-16-(1H-indol-3-ylmethyl)-94-methyl-22,76-bis(2-methylpropyl)-34,46,67,82,91-pentakis[(1R)-1-oxidanylethyl]-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tritriacontakis(oxidanylidene)-52,73-bis(phenylmethyl)-1a,2a,5a,6a,9a,10a-hexathia-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99-tritriacontazatetracyclo[56.41.4.47,70.425,85]hendecahectan-64-yl]propanoic acid > 3-[(1R,4S,7R,13S,16S,22S,25R,28S,34S,37S,46S,49S,52S,55S,58R,64S,67S,70R,73S,76S,82S,85R,88S,91S,94S)-13,37-bis(2-amino-2-keto-ethyl)-52,73-dibenzyl-55-(carboxymethyl)-28,88-bis(4-hydroxybenzyl)-34,46,67,82,91-pentakis[(1R)-1-hydroxyethyl]-16-(1H-indol-3-ylmethyl)-22,76-diisobutyl-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tritriacontaketo-94-methyl-4-methylol-49-[(1S)-1-methylpropyl]-1a,2a,5a,6a,9a,10a-hexathia-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99-tritriacontazatetracyclo[56.41.4.47,70.425,85]hendecahectan-64-yl]propionic acid > InChI=1S/C142H196N36O47S6/c1-13-66(6)112-137(220)165-87(41-74-24-18-15-19-25-74)128(211)164-92(47-111(199)200)130(213)168-94-58-226-228-60-96-133(216)167-93(57-179)132(215)169-95-59-227-230-63-99(172-141(224)117(72(12)184)177-125(208)82(36-37-110(197)198)155-103(190)52-152-123(94)206)135(218)161-86(40-73-22-16-14-17-23-73)127(210)159-83(38-64(2)3)119(202)150-55-108(195)175-114(69(9)181)140(223)171-98(136(219)162-88(43-76-30-34-79(186)35-31-76)131(214)178-116(71(11)183)138(221)154-67(7)118(201)147-51-106(193)158-96)62-231-229-61-97(170-126(209)84(39-65(4)5)156-104(191)53-149-121(204)89(44-77-48-145-81-27-21-20-26-80(77)81)163-129(212)91(46-101(144)188)157-105(192)54-153-124(95)207)134(217)160-85(42-75-28-32-78(185)33-29-75)120(203)151-56-109(196)174-113(68(8)180)139(222)166-90(45-100(143)187)122(205)148-49-102(189)146-50-107(194)173-115(70(10)182)142(225)176-112/h14-35,48,64-72,82-99,112-117,145,179-186H,13,36-47,49-63H2,1-12H3,(H2,143,187)(H2,144,188)(H,146,189)(H,147,201)(H,148,205)(H,149,204)(H,150,202)(H,151,203)(H,152,206)(H,153,207)(H,154,221)(H,155,190)(H,156,191)(H,157,192)(H,158,193)(H,159,210)(H,160,217)(H,161,218)(H,162,219)(H,163,212)(H,164,211)(H,165,220)(H,166,222)(H,167,216)(H,168,213)(H,169,215)(H,170,209)(H,171,223)(H,172,224)(H,173,194)(H,174,196)(H,175,195)(H,176,225)(H,177,208)(H,178,214)(H,197,198)(H,199,200)/t66-,67-,68+,69+,70+,71+,72+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,112-,113-,114-,115-,116-,117-/m0/s1 > IPKDLCAJYLENNX-SQIGPISNSA-N > -6.3 > 3350.2411394 > C142H196N36O47S6 > 3351.7 > CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC2CSSCC3C(=O)NC(C(=O)NC4CSSCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C(=O)N1)C(C)O)CC(=O)N)C(C)O)CC5=CC=C(C=C5)O)NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)CNC4=O)CC(=O)N)CC6=CNC7=CC=CC=C76)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N3)C)C(C)O)CC8=CC=C(C=C8)O)C(C)O)CC(C)C)CC9=CC=CC=C9)NC(=O)C(NC(=O)C(NC(=O)CNC2=O)CCC(=O)O)C(C)O)CO)CC(=O)O)CC1=CC=CC=C1 > CC[C@H](C)[C@H]1C(=O)N[C@H](C(=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)NCC(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N1)[C@@H](C)O)CC(=O)N)[C@@H](C)O)CC5=CC=C(C=C5)O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC4=O)CC(=O)N)CC6=CNC7=CC=CC=C76)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N3)C)[C@@H](C)O)CC8=CC=C(C=C8)O)[C@@H](C)O)CC(C)C)CC9=CC=CC=C9)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC2=O)CCC(=O)O)[C@@H](C)O)CO)CC(=O)O)CC1=CC=CC=C1 > 1450 > 3349.2377846 > 0 > 231 > 31 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 102 109 8 102 110 8 103 108 5 107 106 5 109 118 8 110 119 8 116 114 6 115 125 5 118 126 8 119 126 8 122 281 6 131 294 5 132 295 6 135 159 8 135 160 8 137 300 6 139 140 6 141 307 6 145 158 5 151 161 8 151 170 8 152 316 5 153 166 5 159 178 8 160 179 8 161 168 8 161 184 8 164 174 6 168 189 8 173 187 6 178 185 8 179 185 8 180 352 5 183 203 8 183 204 8 184 197 8 186 201 5 189 199 8 190 214 8 190 215 8 192 370 5 194 371 6 195 374 6 197 199 8 147 20 6 202 221 6 203 219 8 204 220 8 211 230 6 214 226 8 215 227 8 219 223 8 220 223 8 226 231 8 227 231 8 155 23 6 188 35 6 206 38 5 75 168 8 75 170 8 100 9 6 90 93 6 91 233 6 95 99 5 96 242 6 $$$$