Chem
J-GLOBAL ID：200907046070906333
Nikkaji number：J1.842.454A
N-Tetradecyl-1-[2-[4-O-[6-O-(N-acetyl-α-neuraminosyl)-β-D-galactopyranosyl]-β-D-glucopyranosyloxy]ethyl]-1H-1,2,3-triazole-4-carboxamide
N-テトラデシル-1-[2-[4-O-[6-O-(N-アセチル-α-ノイラミノシル)-β-D-ガラクトピラノシル]-β-D-グルコピラノシルオキシ]エチル]-1H-1,2,3-トリアゾール-4-カルボアミド
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C42H73N5O20
Molecular formula furigana： C42-H73-N5-O20
Molecular weight： 968.061
InChI：
InChI=1S/C42H73N5O20/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-43-38(59)24-19-47(46-45-24)16-17-62-39-35(58)33(56)36(27(21-49)64-39)66-40-34(57)32(55)31(54)28(65-40)22-63-42(41(60)61)18-25(51)29(44-23(2)50)37(67-42)30(53)26(52)20-48/h19,25-37,39-40,48-49,51-58H,3-18,20-22H2,1-2H3,(H,43,59)(H,44,50)(H,60,61)/t25-,26+,27+,28+,29+,30+,31-,32-,33+,34+,35+,36+,37+,39+,40-,42+/m0/s1
InChI key：
BLAAIKJKVFPAJC-YMGXFYHSSA-N
SMILES：
CCCCCCCCCCCCCCNC(=O)c1cn(CCO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@@]4(C[C@H](O)[C@@H](NC(=O)C)[C@@H](O4)[C@H](O)[C@H](O)CO)C(=O)O)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)nn1
Systematic name (3)：
- N-テトラデシル-1-[2-[4-O-[6-O-(N-アセチル-α-ノイラミノシル)-β-D-ガラクトピラノシル]-β-D-グルコピラノシルオキシ]エチル]-1H-1,2,3-トリアゾール-4-カルボアミド
- (2R,4S,5R,6R)-2-{[(2R,3R,4S,5R,6S)-6-{[(2R,3S,4R,5R,6R)-4,5-ジヒドロキシ-2-(ヒドロキシメチル)-6-{2-[4-(テトラデシルカルバモイル)-1H-1,2,3-トリアゾール-1-イル]エトキシ}オキサン-3-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-イル]メトキシ}-5-アセトアミド-4-ヒドロキシ-6-[(1R,2R)-1,2,3-トリヒドロキシプロピル]オキサン-2-カルボン酸
- (2R,4S,5R,6R)-2-{[(2R,3R,4S,5R,6S)-6-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{2-[4-(tetradecylcarbamoyl)-1H-1,2,3-triazol-1-yl]ethoxy}oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
- N-Tetradecyl-1-[2-[4-O-[6-O-(N-acetyl-α-neuraminosyl)-β-D-galactopyranosyl]-β-D-glucopyranosyloxy]ethyl]-1H-1,2,3-triazole-4-carboxamide
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