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AAADcfB//gBwAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAAABQAAAHgQQCAAADSzl2AazDoPAAgCoAiHSOAACAACgIAAJiIGOCIiKdj6C2TOUcAAm9hOYmAed36KOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > (1R,7S,12S,15R,18S,21S,24S,30S,33R,36S,39S,42S,45S,48S,54R,57S,60R,63S,66S,69S,72S,75S,78S,81S,84S,90S,93S,99S)-63,69-bis(4-aminobutyl)-66,84-bis(2-amino-2-oxo-ethyl)-21-benzyl-81-(3-guanidinopropyl)-12,39,57-tris(hydroxymethyl)-78-[(4-hydroxyphenyl)methyl]-18,72,90-triisopropyl-42,45-dimethyl-24,36,48,93-tetrakis[(1S)-1-methylpropyl]-a,2,5,10,13,16,19,22,25,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94-hentriacontaoxo-3a,4a,7a,8a,11a,12a-hexathia-1a,3,6,11,14,17,20,23,26,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95-hentriacontazahexacyclo[52.47.4.415,60.433,75.026,30.095,99]tridecahectane-7-carboxylic acid > (1R,7S,12S,15R,18S,21S,24S,30S,33R,36S,39S,42S,45S,48S,54R,57S,60R,63S,66S,69S,72S,75S,78S,81S,84S,90S,93S,99S)-63,69-bis(4-aminobutyl)-66,84-bis(2-amino-2-oxoethyl)-24,36,48,93-tetrakis[(2S)-butan-2-yl]-81-(3-carbamimidamidopropyl)-12,39,57-tris(hydroxymethyl)-78-[(4-hydroxyphenyl)methyl]-42,45-dimethyl-a,2,5,10,13,16,19,22,25,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94-hentriacontaoxo-21-(phenylmethyl)-18,72,90-tri(propan-2-yl)-3a,4a,7a,8a,11a,12a-hexathia-1a,3,6,11,14,17,20,23,26,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95-hentriacontazahexacyclo[52.47.4.415,60.433,75.026,30.095,99]tridecahectane-7-carboxylic acid > (1R,7S,12S,15R,18S,21S,24S,30S,33R,36S,39S,42S,45S,48S,54R,57S,60R,63S,66S,69S,72S,75S,78S,81S,84S,90S,93S,99S)-63,69-bis(4-aminobutyl)-66,84-bis(2-amino-2-oxoethyl)-21-benzyl-24,36,48,93-tetrakis[(2S)-butan-2-yl]-81-(3-carbamimidamidopropyl)-12,39,57-tris(hydroxymethyl)-78-[(4-hydroxyphenyl)methyl]-42,45-dimethyl-a,2,5,10,13,16,19,22,25,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94-hentriacontaoxo-18,72,90-tri(propan-2-yl)-3a,4a,7a,8a,11a,12a-hexathia-1a,3,6,11,14,17,20,23,26,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95-hentriacontazahexacyclo[52.47.4.415,60.433,75.026,30.095,99]tridecahectane-7-carboxylic acid > (1R,7S,12S,15R,18S,21S,24S,30S,33R,36S,39S,42S,45S,48S,54R,57S,60R,63S,66S,69S,72S,75S,78S,81S,84S,90S,93S,99S)-63,69-bis(4-aminobutyl)-66,84-bis(2-amino-2-oxoethyl)-21-benzyl-24,36,48,93-tetrakis[(2S)-butan-2-yl]-81-(3-carbamimidamidopropyl)-12,39,57-tris(hydroxymethyl)-78-[(4-hydroxyphenyl)methyl]-42,45-dimethyl-a,2,5,10,13,16,19,22,25,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94-hentriacontaoxo-18,72,90-tri(propan-2-yl)-3a,4a,7a,8a,11a,12a-hexathia-1a,3,6,11,14,17,20,23,26,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95-hentriacontazahexacyclo[52.47.4.415,60.433,75.026,30.095,99]tridecahectane-7-carboxylic acid > (1R,7S,12S,15R,18S,21S,24S,30S,33R,36S,39S,42S,45S,48S,54R,57S,60R,63S,66S,69S,72S,75S,78S,81S,84S,90S,93S,99S)-63,69-bis(4-azanylbutyl)-66,84-bis(2-azanyl-2-oxidanylidene-ethyl)-24,36,48,93-tetrakis[(2S)-butan-2-yl]-81-(3-carbamimidamidopropyl)-12,39,57-tris(hydroxymethyl)-78-[(4-hydroxyphenyl)methyl]-42,45-dimethyl-a,2,5,10,13,16,19,22,25,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94-hentriacontakis(oxidanylidene)-21-(phenylmethyl)-18,72,90-tri(propan-2-yl)-3a,4a,7a,8a,11a,12a-hexathia-1a,3,6,11,14,17,20,23,26,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95-hentriacontazahexacyclo[52.47.4.415,60.433,75.026,30.095,99]tridecahectane-7-carboxylic acid > (1R,7S,12S,15R,18S,21S,24S,30S,33R,36S,39S,42S,45S,48S,54R,57S,60R,63S,66S,69S,72S,75S,78S,81S,84S,90S,93S,99S)-63,69-bis(4-aminobutyl)-66,84-bis(2-amino-2-keto-ethyl)-21-benzyl-81-(3-guanidinopropyl)-78-(4-hydroxybenzyl)-18,72,90-triisopropyl-a,2,5,10,13,16,19,22,25,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94-hentriacontaketo-42,45-dimethyl-12,39,57-trimethylol-24,36,48,93-tetrakis[(1S)-1-methylpropyl]-3a,4a,7a,8a,11a,12a-hexathia-1a,3,6,11,14,17,20,23,26,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95-hentriacontazahexacyclo[52.47.4.415,60.433,75.026,30.095,99]tridecahectane-7-carboxylic acid > InChI=1S/C137H216N38O39S6/c1-17-68(11)105-129(206)147-54-100(184)152-89-60-216-215-59-88-112(189)146-53-99(183)150-80(136(213)214)42-43-98(182)151-85(56-176)120(197)163-92-63-219-217-61-90(162-121(198)87(58-178)160-122(89)199)123(200)155-77(33-24-26-44-138)113(190)158-84(52-97(141)181)117(194)153-78(34-25-27-45-139)115(192)168-104(67(9)10)131(208)166-91(124(201)156-81(50-75-38-40-76(179)41-39-75)116(193)154-79(35-28-46-144-137(142)143)114(191)157-83(51-96(140)180)111(188)145-55-101(185)167-102(65(5)6)132(209)173-108(71(14)20-4)135(212)175-48-29-36-94(175)127(204)164-88)62-218-220-64-93(126(203)171-106(69(12)18-2)133(210)161-86(57-177)119(196)149-72(15)109(186)148-73(16)110(187)170-105)165-128(205)95-37-30-47-174(95)134(211)107(70(13)19-3)172-118(195)82(49-74-31-22-21-23-32-74)159-130(207)103(66(7)8)169-125(92)202/h21-23,31-32,38-41,65-73,77-95,102-108,176-179H,17-20,24-30,33-37,42-64,138-139H2,1-16H3,(H2,140,180)(H2,141,181)(H,145,188)(H,146,189)(H,147,206)(H,148,186)(H,149,196)(H,150,183)(H,151,182)(H,152,184)(H,153,194)(H,154,193)(H,155,200)(H,156,201)(H,157,191)(H,158,190)(H,159,207)(H,160,199)(H,161,210)(H,162,198)(H,163,197)(H,164,204)(H,165,205)(H,166,208)(H,167,185)(H,168,192)(H,169,202)(H,170,187)(H,171,203)(H,172,195)(H,173,209)(H,213,214)(H4,142,143,144)/t68-,69-,70-,71-,72-,73-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91+,92-,93-,94-,95-,102-,103-,104-,105-,106-,107-,108-/m0/s1 > WVDDKBIDSUUCLT-AWZLLTDASA-N > -6.9 > 3210.4444711 > C137H216N38O39S6 > 3211.8 > CCC(C)C1C(=O)NCC(=O)NC2CSSCC3C(=O)NCC(=O)NC(CCC(=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)NC(C(=O)N1)C)C)CO)C(C)CC)NC(=O)C5CCCN5C(=O)C(NC(=O)C(NC(=O)C(NC4=O)C(C)C)CC6=CC=CC=C6)C(C)CC)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N7CCCC7C(=O)N3)C(C)CC)C(C)C)CC(=O)N)CCCNC(=N)N)CC8=CC=C(C=C8)O)C(C)C)CCCCN)CC(=O)N)CCCCN)NC(=O)C(NC2=O)CO)CO)C(=O)O > CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H]2CSSC[C@H]3C(=O)NCC(=O)N[C@@H](CCC(=O)N[C@H](C(=O)N[C@H]4CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=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)N[C@H](C(=O)N1)C)C)CO)[C@@H](C)CC)NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC4=O)C(C)C)CC6=CC=CC=C6)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N7CCC[C@H]7C(=O)N3)[C@@H](C)CC)C(C)C)CC(=O)N)CCCNC(=N)N)CC8=CC=C(C=C8)O)C(C)C)CCCCN)CC(=O)N)CCCCN)NC(=O)[C@@H](NC2=O)CO)CO)C(=O)O > 1350 > 3209.4411162 > 0 > 220 > 32 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 104 113 6 107 115 5 108 112 6 111 116 6 118 128 6 121 129 6 122 132 8 122 133 8 124 127 6 132 138 8 133 139 8 137 147 5 138 143 8 139 143 8 146 140 5 148 144 5 145 153 5 151 167 5 152 157 6 159 165 6 160 169 6 161 175 5 164 178 5 166 173 6 174 189 6 184 199 8 184 200 8 185 192 6 187 188 6 190 202 5 191 195 6 194 204 6 199 209 8 200 210 8 203 208 6 207 215 6 209 212 8 210 212 8 84 86 5 85 89 6 92 94 6 93 95 6 96 102 6 97 103 6 $$$$