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0 0 0 184188 1 0 0 0 0 184352 1 1 0 0 0 186190 1 6 0 0 0 186191 1 0 0 0 0 186357 1 0 0 0 0 187189 1 0 0 0 0 187192 1 0 0 0 0 187358 1 6 0 0 0 188194 1 0 0 0 0 188359 1 0 0 0 0 190195 1 0 0 0 0 190362 1 0 0 0 0 190363 1 0 0 0 0 192199 1 0 0 0 0 192368 1 0 0 0 0 193196 1 6 0 0 0 193200 1 0 0 0 0 193369 1 0 0 0 0 194370 1 0 0 0 0 194371 1 0 0 0 0 194372 1 0 0 0 0 195203 1 0 0 0 0 195373 1 0 0 0 0 195374 1 0 0 0 0 196202 1 0 0 0 0 196375 1 0 0 0 0 196376 1 0 0 0 0 197201 1 0 0 0 0 199377 1 0 0 0 0 199378 1 0 0 0 0 199379 1 0 0 0 0 201381 1 0 0 0 0 201382 1 0 0 0 0 202206 2 0 0 0 0 202207 1 0 0 0 0 204205 1 0 0 0 0 204387 1 0 0 0 0 204388 1 0 0 0 0 206208 1 0 0 0 0 206391 1 0 0 0 0 207209 2 0 0 0 0 207392 1 0 0 0 0 208210 2 0 0 0 0 208394 1 0 0 0 0 209210 1 0 0 0 0 209395 1 0 0 0 0 210396 1 0 0 0 0 M END > 52952316 > 1 > 7300 > 48 > 39 > 27 > AAADcfB//gBwAAAAAAAAAAAAAAAAAWLFixYwYAAAAAAAAFgB9AAAHgQQCAAADTzl3ga/yPPJkgCoAzX3fACCgCCxAiAJ2aG4ZJiKcP7A2bGUYAhmtgLYyAe/n8KOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > 3-[(aS,1R,4S,13S,16R,19S,22S,28R,31S,34S,40S,46S,49S,52S,55R,58S,61S,67S,70S,76S,79R,82S,85R,91S,97S)-a,46-bis(2-amino-2-oxo-ethyl)-13-benzyl-76-(carboxymethyl)-49-(3-guanidinopropyl)-4,19,52,82,97-pentakis[(1R)-1-hydroxyethyl]-67-(1H-indol-3-ylmethyl)-40-isobutyl-31,58-diisopropyl-2a,3,6,9,12,15,18,21,24,27,30,33,39,42,45,48,51,54,57,60,66,69,75,78,81,84,87,90,96,99-triacontaoxo-4a,5a,8a,9a,12a,13a-hexathia-1a,2,5,8,11,14,17,20,23,26,29,32,38,41,44,47,50,53,56,59,65,68,74,77,80,83,86,89,95,98-triacontazaoctacyclo[53.47.4.416,79.428,85.034,38.061,65.070,74.091,95]tetradecahectan-22-yl]propanoic acid > 3-[(aS,1R,4S,13S,16R,19S,22S,28R,31S,34S,40S,46S,49S,52S,55R,58S,61S,67S,70S,76S,79R,82S,85R,91S,97S)-a,46-bis(2-amino-2-oxoethyl)-49-(3-carbamimidamidopropyl)-76-(carboxymethyl)-4,19,52,82,97-pentakis[(1R)-1-hydroxyethyl]-67-(1H-indol-3-ylmethyl)-40-(2-methylpropyl)-2a,3,6,9,12,15,18,21,24,27,30,33,39,42,45,48,51,54,57,60,66,69,75,78,81,84,87,90,96,99-triacontaoxo-13-(phenylmethyl)-31,58-di(propan-2-yl)-4a,5a,8a,9a,12a,13a-hexathia-1a,2,5,8,11,14,17,20,23,26,29,32,38,41,44,47,50,53,56,59,65,68,74,77,80,83,86,89,95,98-triacontazaoctacyclo[53.47.4.416,79.428,85.034,38.061,65.070,74.091,95]tetradecahectan-22-yl]propanoic acid > 3-[(aS,1R,4S,13S,16R,19S,22S,28R,31S,34S,40S,46S,49S,52S,55R,58S,61S,67S,70S,76S,79R,82S,85R,91S,97S)-a,46-bis(2-amino-2-oxoethyl)-13-benzyl-49-(3-carbamimidamidopropyl)-76-(carboxymethyl)-4,19,52,82,97-pentakis[(1R)-1-hydroxyethyl]-67-(1H-indol-3-ylmethyl)-40-(2-methylpropyl)-2a,3,6,9,12,15,18,21,24,27,30,33,39,42,45,48,51,54,57,60,66,69,75,78,81,84,87,90,96,99-triacontaoxo-31,58-di(propan-2-yl)-4a,5a,8a,9a,12a,13a-hexathia-1a,2,5,8,11,14,17,20,23,26,29,32,38,41,44,47,50,53,56,59,65,68,74,77,80,83,86,89,95,98-triacontazaoctacyclo[53.47.4.416,79.428,85.034,38.061,65.070,74.091,95]tetradecahectan-22-yl]propanoic acid > 3-[(aS,1R,4S,13S,16R,19S,22S,28R,31S,34S,40S,46S,49S,52S,55R,58S,61S,67S,70S,76S,79R,82S,85R,91S,97S)-a,46-bis(2-amino-2-oxoethyl)-13-benzyl-49-(3-carbamimidamidopropyl)-76-(carboxymethyl)-4,19,52,82,97-pentakis[(1R)-1-hydroxyethyl]-67-(1H-indol-3-ylmethyl)-40-(2-methylpropyl)-2a,3,6,9,12,15,18,21,24,27,30,33,39,42,45,48,51,54,57,60,66,69,75,78,81,84,87,90,96,99-triacontaoxo-31,58-di(propan-2-yl)-4a,5a,8a,9a,12a,13a-hexathia-1a,2,5,8,11,14,17,20,23,26,29,32,38,41,44,47,50,53,56,59,65,68,74,77,80,83,86,89,95,98-triacontazaoctacyclo[53.47.4.416,79.428,85.034,38.061,65.070,74.091,95]tetradecahectan-22-yl]propanoic acid > 3-[(aS,1R,4S,13S,16R,19S,22S,28R,31S,34S,40S,46S,49S,52S,55R,58S,61S,67S,70S,76S,79R,82S,85R,91S,97S)-a,46-bis(2-azanyl-2-oxidanylidene-ethyl)-49-(3-carbamimidamidopropyl)-76-(2-hydroxy-2-oxoethyl)-67-(1H-indol-3-ylmethyl)-40-(2-methylpropyl)-4,19,52,82,97-pentakis[(1R)-1-oxidanylethyl]-2a,3,6,9,12,15,18,21,24,27,30,33,39,42,45,48,51,54,57,60,66,69,75,78,81,84,87,90,96,99-triacontakis(oxidanylidene)-13-(phenylmethyl)-31,58-di(propan-2-yl)-4a,5a,8a,9a,12a,13a-hexathia-1a,2,5,8,11,14,17,20,23,26,29,32,38,41,44,47,50,53,56,59,65,68,74,77,80,83,86,89,95,98-triacontazaoctacyclo[53.47.4.416,79.428,85.034,38.061,65.070,74.091,95]tetradecahectan-22-yl]propanoic acid > 3-[(aS,1R,4S,13S,16R,19S,22S,28R,31S,34S,40S,46S,49S,52S,55R,58S,61S,67S,70S,76S,79R,82S,85R,91S,97S)-a,46-bis(2-amino-2-keto-ethyl)-13-benzyl-76-(carboxymethyl)-49-(3-guanidinopropyl)-4,19,52,82,97-pentakis[(1R)-1-hydroxyethyl]-67-(1H-indol-3-ylmethyl)-40-isobutyl-31,58-diisopropyl-2a,3,6,9,12,15,18,21,24,27,30,33,39,42,45,48,51,54,57,60,66,69,75,78,81,84,87,90,96,99-triacontaketo-4a,5a,8a,9a,12a,13a-hexathia-1a,2,5,8,11,14,17,20,23,26,29,32,38,41,44,47,50,53,56,59,65,68,74,77,80,83,86,89,95,98-triacontazaoctacyclo[53.47.4.416,79.428,85.034,38.061,65.070,74.091,95]tetradecahectan-22-yl]propionic acid > InChI=1S/C127H186N36O41S6/c1-56(2)38-73-123(201)161-35-20-29-84(161)115(193)154-95(57(3)4)117(195)148-76-50-205-206-51-77-111(189)157-100(62(10)167)122(200)152-80-54-209-207-52-78(151-121(199)99(61(9)166)156-106(184)69(31-32-93(176)177)139-89(172)47-137-104(76)182)108(186)143-70(39-64-22-13-12-14-23-64)102(180)135-45-88(171)134-46-92(175)153-97(59(7)164)119(197)150-79(109(187)145-72(42-87(129)170)107(185)159-101(63(11)168)126(204)163-37-18-27-82(163)113(191)138-49-91(174)141-77)53-208-210-55-81(112(190)158-98(60(8)165)120(198)142-68(26-17-33-132-127(130)131)105(183)144-71(41-86(128)169)103(181)136-48-90(173)140-73)149-118(196)96(58(5)6)155-116(194)85-30-21-36-162(85)124(202)74(40-65-44-133-67-25-16-15-24-66(65)67)147-114(192)83-28-19-34-160(83)125(203)75(43-94(178)179)146-110(80)188/h12-16,22-25,44,56-63,68-85,95-101,133,164-168H,17-21,26-43,45-55H2,1-11H3,(H2,128,169)(H2,129,170)(H,134,171)(H,135,180)(H,136,181)(H,137,182)(H,138,191)(H,139,172)(H,140,173)(H,141,174)(H,142,198)(H,143,186)(H,144,183)(H,145,187)(H,146,188)(H,147,192)(H,148,195)(H,149,196)(H,150,197)(H,151,199)(H,152,200)(H,153,175)(H,154,193)(H,155,194)(H,156,184)(H,157,189)(H,158,190)(H,159,185)(H,176,177)(H,178,179)(H4,130,131,132)/t59-,60-,61-,62-,63-,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,95+,96+,97+,98+,99+,100+,101+/m1/s1 > FGHWTXMNNRWBCE-PEYIALSASA-N > -8.2 > 3064.1934014 > C127H186N36O41S6 > 3065.5 > CC(C)CC1C(=O)N2CCCC2C(=O)NC(C(=O)NC3CSSCC4C(=O)NC(C(=O)NC5CSSCC(C(=O)NC(C(=O)NCC(=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)C7CCCN7C(=O)C(NC5=O)CC(=O)O)CC8=CNC9=CC=CC=C98)C(C)C)C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)N4)C(C)O)CC(=O)N)C(C)O)CC1=CC=CC=C1)NC(=O)C(NC(=O)C(NC(=O)CNC3=O)CCC(=O)O)C(C)O)C(C)O)C(C)C > C[C@H]([C@H]1C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N4CCC[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](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N1)CC6=CC=CC=C6)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC5=O)CCC(=O)O)[C@@H](C)O)C(=O)N[C@H](C(=O)N7CCC[C@H]7C(=O)N[C@H](C(=O)N8CCC[C@H]8C(=O)N[C@H](C(=O)N3)C(C)C)CC9=CNC1=CC=CC=C19)CC(=O)O)[C@@H](C)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC(=O)N)[C@@H](C)O)C(C)C)CC(C)C)CC(=O)N)CCCNC(=N)N)[C@@H](C)O)O > 1330 > 3063.1900465 > 0 > 210 > 30 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 102 110 5 103 105 5 104 109 8 104 112 8 107 111 5 109 114 8 109 124 8 114 127 8 115 121 5 119 257 5 124 134 8 127 139 8 128 269 5 131 276 5 134 139 8 135 278 5 146 296 6 149 302 6 151 306 5 154 163 6 158 314 5 162 172 5 166 173 5 167 324 5 179 349 6 184 352 5 186 190 6 187 358 6 193 196 6 202 206 8 202 207 8 206 208 8 207 209 8 208 210 8 209 210 8 142 21 6 156 25 5 157 27 6 188 39 6 192 41 6 55 112 8 55 114 8 84 211 6 86 214 6 91 96 5 98 229 6 $$$$