Chem
J-GLOBAL ID：200907079234693153
Nikkaji number：J2.564.423I
N-(2-O,3-O,4-O,6-O-Tetrapivaloyl-β-D-galactopyranosyl)-Nα-(benzyloxycarbonyl)-L-methioninamide
N-(2-O,3-O,4-O,6-O-テトラピバロイル-β-D-ガラクトピラノシル)-Nα-(ベンジルオキシカルボニル)-L-メチオニンアミド
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： C39H60N2O12S
Molecular formula furigana： C39-H60-N2-O12-S
Molecular weight： 780.970
InChI：
InChI=1S/C39H60N2O12S/c1-36(2,3)31(43)48-22-25-26(51-32(44)37(4,5)6)27(52-33(45)38(7,8)9)28(53-34(46)39(10,11)12)30(50-25)41-29(42)24(19-20-54-13)40-35(47)49-21-23-17-15-14-16-18-23/h14-18,24-28,30H,19-22H2,1-13H3,(H,40,47)(H,41,42)/t24-,25+,26-,27-,28+,30+/m0/s1
InChI key：
KQAHPMDQFGCBQS-PLXCMXOZSA-N
SMILES：
CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1O[C@H](COC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C
Systematic name (3)：
- N-(2-O,3-O,4-O,6-O-テトラピバロイル-β-D-ガラクトピラノシル)-Nα-(ベンジルオキシカルボニル)-L-メチオニンアミド
- [(2R,3S,4S,5R,6R)-6-[(2S)-2-{[(ベンジルオキシ)カルボニル]アミノ}-4-(メチルスルファニル)ブタンアミド]-3,4,5-トリス[(2,2-ジメチルプロパノイル)オキシ]オキサン-2-イル]メチル 2,2-ジメチルプロパノアート
- [(2R,3S,4S,5R,6R)-6-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-(methylsulfanyl)butanamido]-3,4,5-tris[(2,2-dimethylpropanoyl)oxy]oxan-2-yl]methyl 2,2-dimethylpropanoate
- N-(2-O,3-O,4-O,6-O-Tetrapivaloyl-β-D-galactopyranosyl)-Nα-(benzyloxycarbonyl)-L-methioninamide
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