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0 0 0 198208 1 0 0 0 0 198395 1 0 0 0 0 200206 1 0 0 0 0 200210 1 0 0 0 0 200397 1 0 0 0 0 201400 1 0 0 0 0 202213 1 0 0 0 0 202398 1 0 0 0 0 202399 1 0 0 0 0 203214 1 0 0 0 0 203401 1 0 0 0 0 204215 2 0 0 0 0 204402 1 0 0 0 0 205216 1 0 0 0 0 205403 1 0 0 0 0 205404 1 0 0 0 0 207405 1 0 0 0 0 207406 1 0 0 0 0 207407 1 0 0 0 0 208211 1 0 0 0 0 208409 1 0 0 0 0 208410 1 0 0 0 0 210222 1 0 0 0 0 210413 1 0 0 0 0 210414 1 0 0 0 0 211220 1 0 0 0 0 211416 1 0 0 0 0 211417 1 0 0 0 0 213418 1 0 0 0 0 213419 1 0 0 0 0 213420 1 0 0 0 0 214218 2 0 0 0 0 214421 1 0 0 0 0 215218 1 0 0 0 0 215422 1 0 0 0 0 216423 1 0 0 0 0 216424 1 0 0 0 0 217223 1 0 0 0 0 217224 1 0 0 0 0 217426 1 0 0 0 0 219221 1 0 0 0 0 220226 1 0 0 0 0 220428 1 0 0 0 0 220429 1 0 0 0 0 221225 1 0 0 0 0 221430 1 0 0 0 0 222227 2 0 0 0 0 222228 1 0 0 0 0 223229 1 0 0 0 0 223431 1 0 0 0 0 223432 1 0 0 0 0 225232 1 0 0 0 0 225436 1 0 0 0 0 225437 1 0 0 0 0 226438 1 0 0 0 0 226439 1 0 0 0 0 227230 1 0 0 0 0 227442 1 0 0 0 0 228231 2 0 0 0 0 228443 1 0 0 0 0 229234 1 0 0 0 0 229444 1 0 0 0 0 229445 1 0 0 0 0 230233 2 0 0 0 0 230447 1 0 0 0 0 231233 1 0 0 0 0 231448 1 0 0 0 0 233451 1 0 0 0 0 M END > 16132995 > 1 > 7880 > 52 > 42 > 44 > 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-(carboxymethyl)-73-(1-hydroxyethyl)-4,70-bis(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-5-ylmethyl)-91-(1H-indol-3-ylmethyl)-40,76,94-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-22,67,88-trisec-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)-22,67,88-tri(butan-2-yl)-49-(2-carboxyethyl)-28-(carboxymethyl)-73-(1-hydroxyethyl)-4,70-bis(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-5-ylmethyl)-91-(1H-indol-3-ylmethyl)-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)-40,76,94-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-22,67,88-tri(butan-2-yl)-49-(2-carboxyethyl)-28-(carboxymethyl)-73-(1-hydroxyethyl)-4,70-bis(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-5-ylmethyl)-91-(1H-indol-3-ylmethyl)-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-40,76,94-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-22,67,88-tri(butan-2-yl)-49-(2-carboxyethyl)-28-(carboxymethyl)-73-(1-hydroxyethyl)-4,70-bis(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-5-ylmethyl)-91-(1H-indol-3-ylmethyl)-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-40,76,94-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)-22,67,88-tri(butan-2-yl)-73-(1-hydroxyethyl)-4,70-bis(hydroxymethyl)-28-(2-hydroxy-2-oxoethyl)-49-(3-hydroxy-3-oxopropyl)-34-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-5-ylmethyl)-91-(1H-indol-3-ylmethyl)-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)-40,76,94-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-(carboxymethyl)-34-(4-hydroxybenzyl)-73-(1-hydroxyethyl)-31-(1H-imidazol-5-ylmethyl)-91-(1H-indol-3-ylmethyl)-40,76,94-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-4,70-dimethylol-22,67,88-trisec-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/C148H220N38O42S6/c1-14-74(10)116-145(225)168-91(52-78-30-18-17-19-31-78)127(207)166-95(57-108(153)192)130(210)173-101-66-230-229-64-99-120(200)156-61-109(193)158-88(43-45-110(194)195)122(202)170-97(62-187)133(213)174-103-68-233-231-65-100(172-121(201)85(161-135(101)215)34-22-25-47-149)136(216)162-89(44-46-111(196)197)123(203)165-94(56-107(152)191)129(209)159-86(35-23-26-48-150)124(204)178-114(72(6)7)143(223)177-102(137(217)163-90(53-79-39-41-82(190)42-40-79)126(206)164-93(55-81-60-154-70-157-81)128(208)167-96(58-112(198)199)131(211)160-87(36-24-27-49-151)125(205)182-117(75(11)15-2)147(227)185-50-28-37-105(185)140(220)175-99)67-232-234-69-104(139(219)180-115(73(8)9)144(224)184-119(77(13)189)146(226)171-98(63-188)134(214)181-116)176-141(221)106-38-29-51-186(106)148(228)118(76(12)16-3)183-132(212)92(169-142(222)113(71(4)5)179-138(103)218)54-80-59-155-84-33-21-20-32-83(80)84/h17-21,30-33,39-42,59-60,70-77,85-106,113-119,155,187-190H,14-16,22-29,34-38,43-58,61-69,149-151H2,1-13H3,(H2,152,191)(H2,153,192)(H,154,157)(H,156,200)(H,158,193)(H,159,209)(H,160,211)(H,161,215)(H,162,216)(H,163,217)(H,164,206)(H,165,203)(H,166,207)(H,167,208)(H,168,225)(H,169,222)(H,170,202)(H,171,226)(H,172,201)(H,173,210)(H,174,213)(H,175,220)(H,176,221)(H,177,223)(H,178,204)(H,179,218)(H,180,219)(H,181,214)(H,182,205)(H,183,212)(H,184,224)(H,194,195)(H,196,197)(H,198,199) > TXIBPSYDVYCZHR-UHFFFAOYSA-N > -10.6 > 3394.4605151 > C148H220N38O42S6 > 3396.0 > CCC(C)C1C(=O)NC(C(=O)NC(C(=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)N1)CO)C(C)O)C(C)C)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)NC(C(=O)N8CCCC8C(=O)N3)C(C)CC)CCCCN)CC(=O)O)CC9=CN=CN9)CC1=CC=C(C=C1)O)C(C)C)CCCCN)CC(=O)N)CCC(=O)O)NC(=O)C(NC2=O)CCCCN)CO)CCC(=O)O)CC(=O)N)CC1=CC=CC=C1 > CCC(C)C1C(=O)NC(C(=O)NC(C(=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)N1)CO)C(C)O)C(C)C)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)NC(C(=O)N8CCCC8C(=O)N3)C(C)CC)CCCCN)CC(=O)O)CC9=CN=CN9)CC1=CC=C(C=C1)O)C(C)C)CCCCN)CC(=O)N)CCC(=O)O)NC(=O)C(NC2=O)CCCCN)CO)CCC(=O)O)CC(=O)N)CC1=CC=CC=C1 > 1410 > 3393.4571602 > 0 > 234 > 0 > 33 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 100 106 3 107 117 3 111 119 3 112 115 3 113 116 3 122 128 8 122 131 8 123 127 3 125 130 3 128 133 8 128 139 8 132 142 3 133 143 8 139 146 8 143 148 8 144 158 3 146 148 8 152 147 3 150 160 3 157 151 3 155 161 3 159 165 3 164 174 3 167 180 3 171 183 3 173 176 3 175 187 8 178 184 3 181 195 3 185 203 8 185 204 8 186 199 3 188 207 3 154 19 3 193 194 3 198 208 3 200 210 3 203 214 8 204 215 8 214 218 8 215 218 8 217 223 3 221 225 3 222 227 8 222 228 8 227 230 8 228 231 8 230 233 8 231 233 8 59 131 8 59 133 8 74 175 8 74 201 8 78 187 8 78 201 8 87 89 3 88 92 3 95 96 3 97 99 3 98 105 3 $$$$