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0 0 180182 1 0 0 0 0 181189 1 0 0 0 0 182353 1 0 0 0 0 182354 1 0 0 0 0 183191 1 0 0 0 0 183355 1 0 0 0 0 186356 1 0 0 0 0 186357 1 0 0 0 0 186358 1 0 0 0 0 187192 1 0 0 0 0 187359 1 0 0 0 0 188193 2 0 0 0 0 188360 1 0 0 0 0 189361 1 0 0 0 0 189362 1 0 0 0 0 190194 1 0 0 0 0 190195 1 6 0 0 0 190364 1 0 0 0 0 191366 1 0 0 0 0 191367 1 0 0 0 0 191368 1 0 0 0 0 192196 2 0 0 0 0 192370 1 0 0 0 0 193196 1 0 0 0 0 193371 1 0 0 0 0 195197 1 0 0 0 0 195372 1 0 0 0 0 195373 1 0 0 0 0 197198 2 0 0 0 0 197199 1 0 0 0 0 198200 1 0 0 0 0 198376 1 0 0 0 0 199201 2 0 0 0 0 199377 1 0 0 0 0 200202 2 0 0 0 0 200378 1 0 0 0 0 201202 1 0 0 0 0 201379 1 0 0 0 0 202380 1 0 0 0 0 M END > 50900300 > 1 > 6810 > 46 > 40 > 26 > AAADcfB//gBwAAAAAAAAAAAAAAAAAWLFgAAwYMAAAAAAAFgB9AAAHgQQCAAADTzl3ga/zvPJkgCoAzX3fACCgCCxIiAJ2aG+bJiKdv7C2bOUcAhm9hPY2Ae93+KOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > 3-[(1R,4S,7S,13S,19S,22S,25S,28R,31S,34S,40S,43S,46R,49S,52R,61S,64S,67R,70S,76S,79S,82R,85S,88S)-19-(2-amino-2-oxo-ethyl)-76-benzyl-22-(3-guanidinopropyl)-25,61,70,85-tetrakis[(1R)-1-hydroxyethyl]-43,49-bis(hydroxymethyl)-64-[(4-hydroxyphenyl)methyl]-40-(1H-indol-3-ylmethyl)-4,31-diisopropyl-79-methyl-13-[(1S)-1-methylpropyl]-3,6,12,15,18,21,24,27,30,33,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93-nonacosaoxo-a,3a,4a,95,96,99-hexathia-2,5,11,14,17,20,23,26,29,32,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92-nonacosazahexacyclo[50.41.4.428,67.446,82.07,11.034,38]pentahectan-88-yl]propanoic acid > 3-[(1R,4S,7S,13S,19S,22S,25S,28R,31S,34S,40S,43S,46R,49S,52R,61S,64S,67R,70S,76S,79S,82R,85S,88S)-19-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-22-(3-carbamimidamidopropyl)-25,61,70,85-tetrakis[(1R)-1-hydroxyethyl]-43,49-bis(hydroxymethyl)-64-[(4-hydroxyphenyl)methyl]-40-(1H-indol-3-ylmethyl)-79-methyl-3,6,12,15,18,21,24,27,30,33,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93-nonacosaoxo-76-(phenylmethyl)-4,31-di(propan-2-yl)-a,3a,4a,95,96,99-hexathia-2,5,11,14,17,20,23,26,29,32,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92-nonacosazahexacyclo[50.41.4.428,67.446,82.07,11.034,38]pentahectan-88-yl]propanoic acid > 3-[(1R,4S,7S,13S,19S,22S,25S,28R,31S,34S,40S,43S,46R,49S,52R,61S,64S,67R,70S,76S,79S,82R,85S,88S)-19-(2-amino-2-oxoethyl)-76-benzyl-13-[(2S)-butan-2-yl]-22-(3-carbamimidamidopropyl)-25,61,70,85-tetrakis[(1R)-1-hydroxyethyl]-43,49-bis(hydroxymethyl)-64-[(4-hydroxyphenyl)methyl]-40-(1H-indol-3-ylmethyl)-79-methyl-3,6,12,15,18,21,24,27,30,33,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93-nonacosaoxo-4,31-di(propan-2-yl)-a,3a,4a,95,96,99-hexathia-2,5,11,14,17,20,23,26,29,32,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92-nonacosazahexacyclo[50.41.4.428,67.446,82.07,11.034,38]pentahectan-88-yl]propanoic acid > 3-[(1R,4S,7S,13S,19S,22S,25S,28R,31S,34S,40S,43S,46R,49S,52R,61S,64S,67R,70S,76S,79S,82R,85S,88S)-19-(2-amino-2-oxoethyl)-76-benzyl-13-[(2S)-butan-2-yl]-22-(3-carbamimidamidopropyl)-25,61,70,85-tetrakis[(1R)-1-hydroxyethyl]-43,49-bis(hydroxymethyl)-64-[(4-hydroxyphenyl)methyl]-40-(1H-indol-3-ylmethyl)-79-methyl-3,6,12,15,18,21,24,27,30,33,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93-nonacosaoxo-4,31-di(propan-2-yl)-a,3a,4a,95,96,99-hexathia-2,5,11,14,17,20,23,26,29,32,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92-nonacosazahexacyclo[50.41.4.428,67.446,82.07,11.034,38]pentahectan-88-yl]propanoic acid > 3-[(1R,4S,7S,13S,19S,22S,25S,28R,31S,34S,40S,43S,46R,49S,52R,61S,64S,67R,70S,76S,79S,82R,85S,88S)-19-(2-azanyl-2-oxidanylidene-ethyl)-13-[(2S)-butan-2-yl]-22-(3-carbamimidamidopropyl)-43,49-bis(hydroxymethyl)-64-[(4-hydroxyphenyl)methyl]-40-(1H-indol-3-ylmethyl)-79-methyl-25,61,70,85-tetrakis[(1R)-1-oxidanylethyl]-3,6,12,15,18,21,24,27,30,33,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93-nonacosakis(oxidanylidene)-76-(phenylmethyl)-4,31-di(propan-2-yl)-a,3a,4a,95,96,99-hexathia-2,5,11,14,17,20,23,26,29,32,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92-nonacosazahexacyclo[50.41.4.428,67.446,82.07,11.034,38]pentahectan-88-yl]propanoic acid > 3-[(1R,4S,7S,13S,19S,22S,25S,28R,31S,34S,40S,43S,46R,49S,52R,61S,64S,67R,70S,76S,79S,82R,85S,88S)-19-(2-amino-2-keto-ethyl)-76-benzyl-22-(3-guanidinopropyl)-64-(4-hydroxybenzyl)-25,61,70,85-tetrakis[(1R)-1-hydroxyethyl]-40-(1H-indol-3-ylmethyl)-4,31-diisopropyl-3,6,12,15,18,21,24,27,30,33,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93-nonacosaketo-79-methyl-43,49-dimethylol-13-[(1S)-1-methylpropyl]-a,3a,4a,95,96,99-hexathia-2,5,11,14,17,20,23,26,29,32,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92-nonacosazahexacyclo[50.41.4.428,67.446,82.07,11.034,38]pentahectan-88-yl]propionic acid > InChI=1S/C123H178N34O39S6/c1-12-57(6)94-122(196)157-36-20-27-84(157)114(188)152-92(55(2)3)116(190)145-77-49-197-198-50-78-109(183)142-76(48-159)107(181)144-80-52-200-199-51-79(147-120(194)98(62(11)163)154-104(178)70(32-33-91(171)172)135-88(168)44-132-102(77)176)108(182)134-58(7)99(173)138-71(37-63-21-14-13-15-22-63)100(174)130-46-90(170)150-96(60(9)161)118(192)148-81(110(184)139-72(38-64-28-30-66(164)31-29-64)105(179)153-95(59(8)160)115(189)133-42-86(166)129-43-87(167)136-78)53-201-202-54-82(112(186)155-97(61(10)162)119(193)137-69(25-18-34-127-123(125)126)103(177)140-73(40-85(124)165)101(175)131-45-89(169)149-94)146-117(191)93(56(4)5)151-113(187)83-26-19-35-156(83)121(195)74(141-106(180)75(47-158)143-111(80)185)39-65-41-128-68-24-17-16-23-67(65)68/h13-17,21-24,28-31,41,55-62,69-84,92-98,128,158-164H,12,18-20,25-27,32-40,42-54H2,1-11H3,(H2,124,165)(H,129,166)(H,130,174)(H,131,175)(H,132,176)(H,133,189)(H,134,182)(H,135,168)(H,136,167)(H,137,193)(H,138,173)(H,139,184)(H,140,177)(H,141,180)(H,142,183)(H,143,185)(H,144,181)(H,145,190)(H,146,191)(H,147,194)(H,148,192)(H,149,169)(H,150,170)(H,151,187)(H,152,188)(H,153,179)(H,154,178)(H,155,186)(H,171,172)(H4,125,126,127)/t57-,58-,59+,60+,61+,62+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,92-,93-,94-,95-,96-,97-,98-/m0/s1 > CEZAAOPVMVLVHU-JOAMZXBTSA-N > -5.9 > 2948.1348239 > C123H178N34O39S6 > 2949.3 > CCC(C)C1C(=O)N2CCCC2C(=O)NC(C(=O)NC3CSSCC4C(=O)NC(C(=O)NC5CSSCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CC(=O)N)CCCNC(=N)N)C(C)O)NC(=O)C(NC(=O)C6CCCN6C(=O)C(NC(=O)C(NC5=O)CO)CC7=CNC8=CC=CC=C87)C(C)C)C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)N4)C(C)O)CC9=CC=C(C=C9)O)C(C)O)CC1=CC=CC=C1)C)NC(=O)C(NC(=O)C(NC(=O)CNC3=O)CCC(=O)O)C(C)O)CO)C(C)C > CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H]3CSSC[C@H]4C(=O)N[C@H](C(=O)N[C@H]5CSSC[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)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1)CC(=O)N)CCCNC(=N)N)[C@@H](C)O)NC(=O)[C@@H](NC(=O)[C@@H]6CCCN6C(=O)[C@@H](NC(=O)[C@@H](NC5=O)CO)CC7=CNC8=CC=CC=C87)C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N4)[C@@H](C)O)CC9=CC=C(C=C9)O)[C@@H](C)O)CC1=CC=CC=C1)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC3=O)CCC(=O)O)[C@@H](C)O)CO)C(C)C > 1280 > 2947.1314690 > 0 > 202 > 29 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 100 104 6 107 110 8 107 115 8 110 117 8 110 120 8 114 253 6 116 122 6 117 123 8 118 259 5 120 126 8 123 129 8 125 131 6 126 129 8 132 276 5 133 278 5 134 139 6 146 297 6 148 154 6 151 155 6 153 309 6 161 321 5 162 323 6 168 172 6 169 331 5 176 187 8 176 188 8 177 186 5 179 350 5 187 192 8 188 193 8 190 195 6 192 196 8 193 196 8 197 198 8 197 199 8 198 200 8 199 201 8 137 20 5 200 202 8 201 202 8 165 31 5 173 36 6 183 40 6 55 115 8 55 117 8 80 203 5 84 210 5 86 94 6 88 212 5 93 97 6 98 101 6 $$$$