[C141, Man]Hassallidin D

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基本情報

標準SMILES: C/C=C1\NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H](NC(=O)C(NC(=O)C(O)C(CCCCCCCCCCC)O[C@@H]2OC[C@@H](O)[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3NC(C)=O)[C@@H]2O)C(C)O)[C@@H](C)OC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(C(C)O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)N(C)C(=O)CNC(=O)[C@@H](CCC(N)=O)NC1=O
InChIKey: KGEGUUFEUVXAID-QTPIYKRHSA-N
分子式: C79H121N11O33
平均分子量: 1,752.881 g/mol
単同位体質量: 1,751.81282533

優先名称: [C141, Man]Hassallidin D
IUPAC: 3-{[3-O-(2-Acetamido-2-deoxy-beta-L-glucopyranosyl)-beta-D-arabinopyranosyl]oxy}-N-[1-({(3S,12R,15Z,18R,21S,24S,25R)-12-(3-amino-3-oxopropyl)-15-ethylidene-21-[(1S)-1-hydroxyethyl]-3,18-bis[(4-hydroxyphenyl)methyl]-6-[1-(alpha-L-mannopyranosyloxy)ethyl]-7,25-dimethyl-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-24-yl}amino)-3-hydroxy-1-oxobutan-2-yl]-2-hydroxytetradecanamide

読み込み中…

標準SMILES: C/C=C1\NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H](NC(=O)C(NC(=O)C(O)C(CCCCCCCCCCC)O[C@@H]2OC[C@@H](O)[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3NC(C)=O)[C@@H]2O)C(C)O)[C@@H](C)OC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(C(C)O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)N(C)C(=O)CNC(=O)[C@@H](CCC(N)=O)NC1=O
InChIKey: KGEGUUFEUVXAID-QTPIYKRHSA-N
分子式: C79H121N11O33
平均分子量: 1,752.881 g/mol
単同位体質量: 1,751.81282533

優先名称: [C141, Man]Hassallidin D
IUPAC: 3-{[3-O-(2-Acetamido-2-deoxy-beta-L-glucopyranosyl)-beta-D-arabinopyranosyl]oxy}-N-[1-({(3S,12R,15Z,18R,21S,24S,25R)-12-(3-amino-3-oxopropyl)-15-ethylidene-21-[(1S)-1-hydroxyethyl]-3,18-bis[(4-hydroxyphenyl)methyl]-6-[1-(alpha-L-mannopyranosyloxy)ethyl]-7,25-dimethyl-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-24-yl}amino)-3-hydroxy-1-oxobutan-2-yl]-2-hydroxytetradecanamide

読み込み中…