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0 0 0 0 17.6194 6.2332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1003 11.6837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7499 11.2517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2658 10.6185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9057 13.3046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0559 12.5218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7727 11.4110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9377 8.1489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9436 10.4259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4277 11.0591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6130 12.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0667 12.2976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3166 13.6455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1665 14.4283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0513 5.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1774 5.3995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2485 4.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4446 12.3992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8015 4.2035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3242 15.2895 0.0000 H 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1 0 0 0 0 144283 1 0 0 0 0 144284 1 0 0 0 0 145285 1 0 0 0 0 145286 1 0 0 0 0 146150 1 6 0 0 0 146287 1 0 0 0 0 148154 1 0 0 0 0 148288 1 0 0 0 0 149151 1 0 0 0 0 149289 1 0 0 0 0 149290 1 0 0 0 0 150158 1 0 0 0 0 150291 1 0 0 0 0 150292 1 0 0 0 0 151157 1 0 0 0 0 151293 1 6 0 0 0 153155 1 0 0 0 0 153162 1 0 0 0 0 153296 1 6 0 0 0 154297 1 0 0 0 0 154298 1 0 0 0 0 154299 1 0 0 0 0 155300 1 0 0 0 0 155301 1 0 0 0 0 156159 1 0 0 0 0 156304 1 0 0 0 0 156305 1 0 0 0 0 158306 1 0 0 0 0 158307 1 0 0 0 0 160166 1 6 0 0 0 160171 1 0 0 0 0 160310 1 0 0 0 0 161170 1 0 0 0 0 163168 1 6 0 0 0 163176 1 0 0 0 0 163311 1 0 0 0 0 164173 1 0 0 0 0 164174 1 6 0 0 0 164312 1 0 0 0 0 165167 1 0 0 0 0 165177 1 0 0 0 0 165314 1 6 0 0 0 166169 1 0 0 0 0 166315 1 0 0 0 0 166316 1 0 0 0 0 167317 1 0 0 0 0 167318 1 0 0 0 0 168175 1 0 0 0 0 168319 1 0 0 0 0 168320 1 0 0 0 0 169178 1 0 0 0 0 169322 1 0 0 0 0 169323 1 0 0 0 0 170324 1 0 0 0 0 170325 1 0 0 0 0 172179 1 0 0 0 0 172181 1 6 0 0 0 172326 1 0 0 0 0 174182 1 0 0 0 0 174329 1 0 0 0 0 174330 1 0 0 0 0 175180 1 0 0 0 0 175332 1 0 0 0 0 175333 1 0 0 0 0 178183 1 0 0 0 0 178335 1 0 0 0 0 178336 1 0 0 0 0 180339 1 0 0 0 0 180340 1 0 0 0 0 181341 1 0 0 0 0 181342 1 0 0 0 0 182185 2 0 0 0 0 183343 1 0 0 0 0 183344 1 0 0 0 0 184345 1 0 0 0 0 184346 1 0 0 0 0 184347 1 0 0 0 0 185349 1 0 0 0 0 186354 1 0 0 0 0 M END > 91864521 > 1 > 5940 > 46 > 36 > 49 > AAADcfB//gB4AAAAAAAAAAAAAAAAAWLFgAAwYAAAAAAAAAAB9AAAHgQQCAAADTzl3ga/mJfJkgioAzX3fAACgC2xErAJ2YG4cIiKeD7g2TGUYAAvtgLYyCc/iYCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (3S)-3-amino-4-[[(1S,2R)-1-[[(1S)-2-[[(1S)-2-[(2S)-2-[[(1S,2S)-1-[[(1R,6R,12R,17R,20S,23S,26R,31R,34R,39R,42S,45S,48S,51S,59S)-51-(4-aminobutyl)-31-[[(1S)-5-amino-1-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]pentyl]carbamoyl]-20-benzyl-45-(3-guanidinopropyl)-48-(hydroxymethyl)-42-(1H-imidazol-4-ylmethyl)-23-[(1S)-1-methylpropyl]-59-(2-methylsulfanylethyl)-7,10,19,22,25,33,40,43,46,49,52,54,57,60,63,64-hexadecaoxo-3,4,14,15,28,29,36,37-octathia-8,11,18,21,24,32,41,44,47,50,53,55,58,61,62,65-hexadecazatetracyclo[32.19.8.26,17.212,39]pentahexacontan-26-yl]carbamoyl]-2-methyl-butyl]carbamoyl]pyrrolidin-1-yl]-1-benzyl-2-oxo-ethyl]amino]-1-(1H-imidazol-4-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-4-oxo-butanoic acid > (3S)-3-amino-4-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[[(2S,3S)-1-[[(1R,6R,12R,17R,20S,23S,26R,31R,34R,39R,42S,45S,48S,51S,59S)-51-(4-aminobutyl)-31-[[[(2S)-6-amino-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxohexan-2-yl]amino]-oxomethyl]-23-[(2S)-butan-2-yl]-45-(3-carbamimidamidopropyl)-48-(hydroxymethyl)-42-(1H-imidazol-4-ylmethyl)-59-[2-(methylthio)ethyl]-7,10,19,22,25,33,40,43,46,49,52,54,57,60,63,64-hexadecaoxo-20-(phenylmethyl)-3,4,14,15,28,29,36,37-octathia-8,11,18,21,24,32,41,44,47,50,53,55,58,61,62,65-hexadecazatetracyclo[32.19.8.26,17.212,39]pentahexacontan-26-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid > (3S)-3-amino-4-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S,3S)-1-[[(1R,6R,12R,17R,20S,23S,26R,31R,34R,39R,42S,45S,48S,51S,59S)-51-(4-aminobutyl)-31-[[(2S)-6-amino-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxohexan-2-yl]carbamoyl]-20-benzyl-23-[(2S)-butan-2-yl]-45-(3-carbamimidamidopropyl)-48-(hydroxymethyl)-42-(1H-imidazol-4-ylmethyl)-59-(2-methylsulfanylethyl)-7,10,19,22,25,33,40,43,46,49,52,54,57,60,63,64-hexadecaoxo-3,4,14,15,28,29,36,37-octathia-8,11,18,21,24,32,41,44,47,50,53,55,58,61,62,65-hexadecazatetracyclo[32.19.8.26,17.212,39]pentahexacontan-26-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid > (3S)-3-amino-4-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S,3S)-1-[[(1R,6R,12R,17R,20S,23S,26R,31R,34R,39R,42S,45S,48S,51S,59S)-51-(4-aminobutyl)-31-[[(2S)-6-amino-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxohexan-2-yl]carbamoyl]-20-benzyl-23-[(2S)-butan-2-yl]-45-(3-carbamimidamidopropyl)-48-(hydroxymethyl)-42-(1H-imidazol-4-ylmethyl)-59-(2-methylsulfanylethyl)-7,10,19,22,25,33,40,43,46,49,52,54,57,60,63,64-hexadecaoxo-3,4,14,15,28,29,36,37-octathia-8,11,18,21,24,32,41,44,47,50,53,55,58,61,62,65-hexadecazatetracyclo[32.19.8.26,17.212,39]pentahexacontan-26-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid > (3S)-3-azanyl-4-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S,3S)-1-[[(1R,6R,12R,17R,20S,23S,26R,31R,34R,39R,42S,45S,48S,51S,59S)-31-[[(2S)-6-azanyl-1-[[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]carbamoyl]-51-(4-azanylbutyl)-23-[(2S)-butan-2-yl]-45-(3-carbamimidamidopropyl)-48-(hydroxymethyl)-42-(1H-imidazol-4-ylmethyl)-59-(2-methylsulfanylethyl)-7,10,19,22,25,33,40,43,46,49,52,54,57,60,63,64-hexadecakis(oxidanylidene)-20-(phenylmethyl)-3,4,14,15,28,29,36,37-octathia-8,11,18,21,24,32,41,44,47,50,53,55,58,61,62,65-hexadecazatetracyclo[32.19.8.26,17.212,39]pentahexacontan-26-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid > (3S)-3-amino-4-[[(1S,2R)-1-[[(1S)-2-[[(1S)-2-[(2S)-2-[[(1S,2S)-1-[[(1R,6R,12R,17R,20S,23S,26R,31R,34R,39R,42S,45S,48S,51S,59S)-51-(4-aminobutyl)-31-[[(1S)-5-amino-1-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]pentyl]carbamoyl]-20-benzyl-45-(3-guanidinopropyl)-42-(1H-imidazol-4-ylmethyl)-7,10,19,22,25,33,40,43,46,49,52,54,57,60,63,64-hexadecaketo-48-methylol-23-[(1S)-1-methylpropyl]-59-[2-(methylthio)ethyl]-3,4,14,15,28,29,36,37-octathia-8,11,18,21,24,32,41,44,47,50,53,55,58,61,62,65-hexadecazatetracyclo[32.19.8.26,17.212,39]pentahexacontan-26-yl]carbamoyl]-2-methyl-butyl]carbamoyl]pyrrolidino]-1-benzyl-2-keto-ethyl]amino]-1-(1H-imidazol-4-ylmethyl)-2-keto-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-4-keto-butyric acid > InChI=1S/C113H170N34O31S9/c1-8-56(3)86-108(173)132-69(36-60-22-12-10-13-23-60)97(162)139-80-52-183-182-48-76-101(166)140-78-50-185-186-51-79(138-95(160)68(30-35-179-7)126-83(151)43-122-91(156)74(46-180-181-47-75(137-104(80)169)92(157)123-44-84(152)127-76)136-94(159)65(26-16-18-31-114)129-100(165)73(45-148)135-93(158)67(28-20-33-121-113(117)118)128-98(163)70(131-103(78)168)38-62-41-119-54-124-62)105(170)141-77(102(167)130-66(27-17-19-32-115)96(161)146-89(59(6)150)112(177)178)49-184-187-53-81(106(171)143-86)142-109(174)87(57(4)9-2)144-107(172)82-29-21-34-147(82)111(176)72(37-61-24-14-11-15-25-61)134-99(164)71(39-63-42-120-55-125-63)133-110(175)88(58(5)149)145-90(155)64(116)40-85(153)154/h10-15,22-25,41-42,54-59,64-82,86-89,148-150H,8-9,16-21,26-40,43-53,114-116H2,1-7H3,(H,119,124)(H,120,125)(H,122,156)(H,123,157)(H,126,151)(H,127,152)(H,128,163)(H,129,165)(H,130,167)(H,131,168)(H,132,173)(H,133,175)(H,134,164)(H,135,158)(H,136,159)(H,137,169)(H,138,160)(H,139,162)(H,140,166)(H,141,170)(H,142,174)(H,143,171)(H,144,172)(H,145,155)(H,146,161)(H,153,154)(H,177,178)(H4,117,118,121)/t56-,57-,58+,59+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,86-,87-,88-,89-/m0/s1 > XJOTXKZIRSHZQV-RXHOOSIZSA-N > -10.9 > 2788.0291202 > C113H170N34O31S9 > 2789.4 > CCC(C)C1C(=O)NC(C(=O)NC2CSSCC3C(=O)NC4CSSCC(C(=O)NC(CSSCC(C(=O)N1)NC(=O)C(C(C)CC)NC(=O)C5CCCN5C(=O)C(CC6=CC=CC=C6)NC(=O)C(CC7=CNC=N7)NC(=O)C(C(C)O)NC(=O)C(CC(=O)O)N)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(NC(=O)CNC(=O)C(CSSCC(C(=O)NCC(=O)N3)NC2=O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC4=O)CC8=CNC=N8)CCCNC(=N)N)CO)CCCCN)CCSC)CC9=CC=CC=C9 > CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H]4CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CC7=CNC=N7)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)N3)NC2=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC4=O)CC8=CNC=N8)CCCNC(=N)N)CO)CCCCN)CCSC)CC9=CC=CC=C9 > 1250 > 2787.0257653 > 0 > 187 > 27 > 0 > 0 > 0 > 0 > 1 > 1001 > 1 5 255 > 100 222 5 101 110 8 102 109 5 112 116 6 120 123 5 121 125 8 121 126 8 124 256 5 125 134 8 126 135 8 133 267 6 134 137 8 135 137 8 141 279 6 146 150 6 151 293 6 153 296 6 108 16 5 160 166 6 163 168 6 164 174 6 165 314 6 172 181 6 182 185 8 148 27 6 82 42 6 81 43 5 92 44 5 91 45 5 47 101 8 47 113 8 105 48 6 50 110 8 50 113 8 118 53 6 127 54 5 142 57 6 70 182 8 70 186 8 72 185 8 72 186 8 75 79 5 83 87 5 88 93 8 88 94 8 93 98 8 94 99 8 98 103 8 99 103 8 $$$$