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3-[(1R,4S,7S,13R,16S,22S,28S,31S,34S,37R,40S,43S,46S,49S,52R,55S,58R,64S,67S,73S,76S,79R,82S,88S,91S,94S)-28,43-bis(2-amino-2-oxo-ethyl)-91-benzyl-73-[(1R)-1-hydroxyethyl]-4,46,49,55-tetrakis(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-31-isobutyl-22,40,67,94-tetraisopropyl-64,76,88-tris[(1S)-1-methylpropyl]-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-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-[(1R,4S,7S,13R,16S,22S,28S,31S,34S,37R,40S,43S,46S,49S,52R,55S,58R,64S,67S,73S,76S,79R,82S,88S,91S,94S)-28,43-bis(2-amino-2-oxoethyl)-64,76,88-tris[(2S)-butan-2-yl]-73-[(1R)-1-hydroxyethyl]-4,46,49,55-tetrakis(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-31-(2-methylpropyl)-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-91-(phenylmethyl)-22,40,67,94-tetra(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-[(1R,4S,7S,13R,16S,22S,28S,31S,34S,37R,40S,43S,46S,49S,52R,55S,58R,64S,67S,73S,76S,79R,82S,88S,91S,94S)-28,43-bis(2-amino-2-oxoethyl)-91-benzyl-64,76,88-tris[(2S)-butan-2-yl]-73-[(1R)-1-hydroxyethyl]-4,46,49,55-tetrakis(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-31-(2-methylpropyl)-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-22,40,67,94-tetra(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-[(1R,4S,7S,13R,16S,22S,28S,31S,34S,37R,40S,43S,46S,49S,52R,55S,58R,64S,67S,73S,76S,79R,82S,88S,91S,94S)-28,43-bis(2-amino-2-oxoethyl)-91-benzyl-64,76,88-tris[(2S)-butan-2-yl]-73-[(1R)-1-hydroxyethyl]-4,46,49,55-tetrakis(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-31-(2-methylpropyl)-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-22,40,67,94-tetra(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-[(1R,4S,7S,13R,16S,22S,28S,31S,34S,37R,40S,43S,46S,49S,52R,55S,58R,64S,67S,73S,76S,79R,82S,88S,91S,94S)-28,43-bis(2-azanyl-2-oxidanylidene-ethyl)-64,76,88-tris[(2S)-butan-2-yl]-4,46,49,55-tetrakis(hydroxymethyl)-34-[(4-hydroxyphenyl)methyl]-31-(2-methylpropyl)-73-[(1R)-1-oxidanylethyl]-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)-91-(phenylmethyl)-22,40,67,94-tetra(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-[(1R,4S,7S,13R,16S,22S,28S,31S,34S,37R,40S,43S,46S,49S,52R,55S,58R,64S,67S,73S,76S,79R,82S,88S,91S,94S)-28,43-bis(2-amino-2-keto-ethyl)-91-benzyl-34-(4-hydroxybenzyl)-73-[(1R)-1-hydroxyethyl]-31-isobutyl-22,40,67,94-tetraisopropyl-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-4,46,49,55-tetramethylol-64,76,88-tris[(1S)-1-methylpropyl]-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/C127H194N32O40S6/c1-18-62(14)98-120(192)132-44-90(169)135-80-52-201-200-51-79-103(175)131-43-89(168)134-69(34-35-93(172)173)104(176)141-77(49-162)111(183)146-83-55-204-202-53-81(145-112(184)78(50-163)143-113(80)185)115(187)144-76(48-161)110(182)142-75(47-160)109(181)139-74(42-88(129)167)108(180)152-96(60(10)11)123(195)149-82(114(186)137-71(40-67-30-32-68(165)33-31-67)106(178)136-70(38-57(4)5)105(177)138-73(41-87(128)166)102(174)130-45-92(171)151-97(61(12)13)126(198)158-36-24-28-85(158)118(190)147-79)54-203-205-56-84(117(189)154-99(63(15)19-2)125(197)157-101(65(17)164)121(193)133-46-91(170)150-94(58(6)7)124(196)155-98)148-119(191)86-29-25-37-159(86)127(199)100(64(16)20-3)156-107(179)72(39-66-26-22-21-23-27-66)140-122(194)95(59(8)9)153-116(83)188/h21-23,26-27,30-33,57-65,69-86,94-101,160-165H,18-20,24-25,28-29,34-56H2,1-17H3,(H2,128,166)(H2,129,167)(H,130,174)(H,131,175)(H,132,192)(H,133,193)(H,134,168)(H,135,169)(H,136,178)(H,137,186)(H,138,177)(H,139,181)(H,140,194)(H,141,176)(H,142,182)(H,143,185)(H,144,187)(H,145,184)(H,146,183)(H,147,190)(H,148,191)(H,149,195)(H,150,170)(H,151,171)(H,152,180)(H,153,188)(H,154,189)(H,155,196)(H,156,179)(H,157,197)(H,172,173)/t62-,63-,64-,65+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,94-,95-,96-,97-,98-,99-,100-,101-/m0/s1 > ZOFNNZPAFULKCZ-QWMLJAQXSA-N > -3.1 > 3000.2487910 > C127H194N32O40S6 > 3001.5 > CCC(C)C1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=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)N1)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)N7CCCC7C(=O)N3)C(C)C)CC(=O)N)CC(C)C)CC8=CC=C(C=C8)O)C(C)C)CC(=O)N)CO)CO)NC(=O)C(NC2=O)CO)CO)CCC(=O)O)C(C)CC)C(C)C)C(C)O > CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H]2CSSC[C@H]3C(=O)NCC(=O)N[C@H](C(=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)N1)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)N7CCC[C@H]7C(=O)N3)C(C)C)CC(=O)N)CC(C)C)CC8=CC=C(C=C8)O)C(C)C)CC(=O)N)CO)CO)NC(=O)[C@@H](NC2=O)CO)CO)CCC(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)O > 1250 > 2999.2454361 > 0 > 205 > 30 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 100 103 6 106 248 5 107 249 6 108 118 5 109 120 8 109 121 8 112 116 6 120 126 8 121 127 8 125 277 6 126 132 8 127 132 8 133 288 6 134 289 6 137 143 5 144 156 5 145 153 6 146 308 6 147 160 6 149 155 6 152 163 6 168 172 5 169 184 8 169 185 8 130 17 5 174 191 6 176 348 5 177 193 5 180 192 5 181 355 6 184 195 8 185 196 8 195 197 8 196 197 8 200 204 6 201 205 6 79 206 6 83 213 6 85 92 6 87 215 6 94 229 6 95 99 6 $$$$