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1 0 0 0 0 227232 1 0 0 0 0 227436 1 0 0 0 0 227437 1 0 0 0 0 228440 1 0 0 0 0 228441 1 0 0 0 0 229235 1 0 0 0 0 229444 1 0 0 0 0 229445 1 0 0 0 0 230233 1 0 0 0 0 230446 1 0 0 0 0 231234 2 0 0 0 0 231447 1 0 0 0 0 233236 2 0 0 0 0 233451 1 0 0 0 0 234236 1 0 0 0 0 234452 1 0 0 0 0 236453 1 0 0 0 0 M END > 16133262 > 1 > 8000 > 53 > 42 > 45 > AAADcfB//gBwAAAAAAAAAAAAAAAAAWLFiwAwYMAAAAAAAFgB/AAAHgQQCAAADTzl3ga/3vfJkgCoAzX3fACCgC2xMqAJ2aG+fJiKfv7C2bOUcAhu9hPY2Ce/3+KOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > 3-[25,43,55-tris(4-aminobutyl)-46,61-bis(2-amino-2-oxo-ethyl)-64-benzyl-49-(2-carboxyethyl)-28,70-bis(carboxymethyl)-73-(1-hydroxyethyl)-4-(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-5-ylmethyl)-91-(1H-indol-3-ylmethyl)-76-isobutyl-40,67,94-triisopropyl-3,6,9,12,15,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,87,90,93,96-triacontaoxo-22,88-disec-butyl-2a,3a,6a,7a,98,99-hexathia-2,5,8,11,14,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,86,89,92,95-triacontazahexacyclo[50.44.4.413,58.437,79.016,20.082,86]octahectan-7-yl]propanoic acid > 3-[25,43,55-tris(4-aminobutyl)-46,61-bis(2-amino-2-oxoethyl)-22,88-di(butan-2-yl)-49-(2-carboxyethyl)-28,70-bis(carboxymethyl)-73-(1-hydroxyethyl)-4-(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-5-ylmethyl)-91-(1H-indol-3-ylmethyl)-76-(2-methylpropyl)-3,6,9,12,15,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,87,90,93,96-triacontaoxo-64-(phenylmethyl)-40,67,94-tri(propan-2-yl)-2a,3a,6a,7a,98,99-hexathia-2,5,8,11,14,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,86,89,92,95-triacontazahexacyclo[50.44.4.413,58.437,79.016,20.082,86]octahectan-7-yl]propanoic acid > 3-[25,43,55-tris(4-aminobutyl)-46,61-bis(2-amino-2-oxoethyl)-64-benzyl-22,88-di(butan-2-yl)-49-(2-carboxyethyl)-28,70-bis(carboxymethyl)-73-(1-hydroxyethyl)-4-(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-5-ylmethyl)-91-(1H-indol-3-ylmethyl)-76-(2-methylpropyl)-3,6,9,12,15,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,87,90,93,96-triacontaoxo-40,67,94-tri(propan-2-yl)-2a,3a,6a,7a,98,99-hexathia-2,5,8,11,14,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,86,89,92,95-triacontazahexacyclo[50.44.4.413,58.437,79.016,20.082,86]octahectan-7-yl]propanoic acid > 3-[25,43,55-tris(4-aminobutyl)-46,61-bis(2-amino-2-oxoethyl)-64-benzyl-22,88-di(butan-2-yl)-49-(2-carboxyethyl)-28,70-bis(carboxymethyl)-73-(1-hydroxyethyl)-4-(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-5-ylmethyl)-91-(1H-indol-3-ylmethyl)-76-(2-methylpropyl)-3,6,9,12,15,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,87,90,93,96-triacontaoxo-40,67,94-tri(propan-2-yl)-2a,3a,6a,7a,98,99-hexathia-2,5,8,11,14,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,86,89,92,95-triacontazahexacyclo[50.44.4.413,58.437,79.016,20.082,86]octahectan-7-yl]propanoic acid > 3-[25,43,55-tris(4-azanylbutyl)-46,61-bis(2-azanyl-2-oxidanylidene-ethyl)-22,88-di(butan-2-yl)-73-(1-hydroxyethyl)-4-(hydroxymethyl)-28,70-bis(2-hydroxy-2-oxoethyl)-49-(3-hydroxy-3-oxopropyl)-34-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-5-ylmethyl)-91-(1H-indol-3-ylmethyl)-76-(2-methylpropyl)-3,6,9,12,15,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,87,90,93,96-triacontakis(oxidanylidene)-64-(phenylmethyl)-40,67,94-tri(propan-2-yl)-2a,3a,6a,7a,98,99-hexathia-2,5,8,11,14,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,86,89,92,95-triacontazahexacyclo[50.44.4.413,58.437,79.016,20.082,86]octahectan-7-yl]propanoic acid > 3-[25,43,55-tris(4-aminobutyl)-46,61-bis(2-amino-2-keto-ethyl)-64-benzyl-49-(2-carboxyethyl)-28,70-bis(carboxymethyl)-34-(4-hydroxybenzyl)-73-(1-hydroxyethyl)-31-(1H-imidazol-5-ylmethyl)-91-(1H-indol-3-ylmethyl)-76-isobutyl-40,67,94-triisopropyl-3,6,9,12,15,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,87,90,93,96-triacontaketo-4-methylol-22,88-disec-butyl-2a,3a,6a,7a,98,99-hexathia-2,5,8,11,14,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,86,89,92,95-triacontazahexacyclo[50.44.4.413,58.437,79.016,20.082,86]octahectan-7-yl]propionic acid > InChI=1S/C149H220N38O43S6/c1-14-75(11)118-148(229)186-49-27-36-106(186)142(223)177-100-64-231-232-66-102-137(218)162-85(33-21-24-46-150)122(203)174-101-65-233-236-69-105(176-136(217)99(63-188)173-123(204)88(42-44-111(194)195)159-110(193)62-157-121(100)202)141(222)182-116(73(7)8)145(226)171-93(54-80-60-156-84-32-20-19-31-83(80)84)134(215)184-119(76(12)15-2)149(230)187-50-28-37-107(187)143(224)178-103(139(220)164-90(51-71(3)4)133(214)185-120(77(13)189)147(228)172-98(59-114(200)201)135(216)181-115(72(5)6)144(225)170-92(52-78-29-17-16-18-30-78)128(209)168-96(57-109(154)192)131(212)175-102)67-234-235-68-104(179-146(227)117(74(9)10)180-125(206)86(34-22-25-47-151)160-130(211)95(56-108(153)191)167-124(205)89(163-138(101)219)43-45-112(196)197)140(221)165-91(53-79-38-40-82(190)41-39-79)127(208)166-94(55-81-61-155-70-158-81)129(210)169-97(58-113(198)199)132(213)161-87(126(207)183-118)35-23-26-48-152/h16-20,29-32,38-41,60-61,70-77,85-107,115-120,156,188-190H,14-15,21-28,33-37,42-59,62-69,150-152H2,1-13H3,(H2,153,191)(H2,154,192)(H,155,158)(H,157,202)(H,159,193)(H,160,211)(H,161,213)(H,162,218)(H,163,219)(H,164,220)(H,165,221)(H,166,208)(H,167,205)(H,168,209)(H,169,210)(H,170,225)(H,171,226)(H,172,228)(H,173,204)(H,174,203)(H,175,212)(H,176,217)(H,177,223)(H,178,224)(H,179,227)(H,180,206)(H,181,216)(H,182,222)(H,183,207)(H,184,215)(H,185,214)(H,194,195)(H,196,197)(H,198,199)(H,200,201) > VIOAXUAOZSJILF-UHFFFAOYSA-N > -11 > 3422.4554297 > C149H220N38O43S6 > 3424.0 > CCC(C)C1C(=O)N2CCCC2C(=O)NC3CSSCC4C(=O)NC(C(=O)NC5CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N6CCCC6C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC(=O)O)CC7=CN=CN7)CC8=CC=C(C=C8)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC5=O)CCC(=O)O)CC(=O)N)CCCCN)C(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N4)CC(=O)N)CC9=CC=CC=C9)C(C)C)CC(=O)O)C(C)O)CC(C)C)C(C)CC)CC1=CNC2=CC=CC=C21)C(C)C)NC(=O)C(NC(=O)C(NC(=O)CNC3=O)CCC(=O)O)CO)CCCCN > CCC(C)C1C(=O)N2CCCC2C(=O)NC3CSSCC4C(=O)NC(C(=O)NC5CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N6CCCC6C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC(=O)O)CC7=CN=CN7)CC8=CC=C(C=C8)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC5=O)CCC(=O)O)CC(=O)N)CCCCN)C(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N4)CC(=O)N)CC9=CC=CC=C9)C(C)C)CC(=O)O)C(C)O)CC(C)C)C(C)CC)CC1=CNC2=CC=CC=C21)C(C)C)NC(=O)C(NC(=O)C(NC(=O)CNC3=O)CCC(=O)O)CO)CCCCN > 1430 > 3421.4520748 > 0 > 236 > 0 > 32 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 101 107 3 108 118 3 112 120 3 113 116 3 114 117 3 123 129 8 123 132 8 124 128 3 126 131 3 129 135 8 129 139 8 134 142 3 135 145 8 139 148 8 145 150 8 146 160 3 148 150 8 154 149 3 152 162 3 159 153 3 157 163 3 161 167 3 166 176 3 169 182 3 173 183 3 175 178 3 177 188 8 180 186 3 184 196 3 187 204 8 187 205 8 189 199 3 156 19 3 194 195 3 200 208 3 203 213 3 204 216 8 205 217 8 216 220 8 217 220 8 219 225 3 223 227 3 224 230 8 224 231 8 230 233 8 231 234 8 233 236 8 234 236 8 60 132 8 60 135 8 75 177 8 75 201 8 79 188 8 79 201 8 88 90 3 89 93 3 96 97 3 98 100 3 99 106 3 $$$$