Chem
J-GLOBAL ID:200907003616355634   Nikkaji number:J2.110.137K

N-(2-O,3-O,4-O,6-O-Tetraacetyl-β-D-glucopyranosylcarbamoyl)-L-phenylalanine methyl ester

N-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシルカルバモイル)-L-フェニルアラニンメチル
Substance type:
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
Molecular formula: C25H32N2O12
Molecular formula furigana: C25-H32-N2-O12
Molecular weight: 552.533
InChI: InChI=1S/C25H32N2O12/c1-13(28)35-12-19-20(36-14(2)29)21(37-15(3)30)22(38-16(4)31)23(39-19)27-25(33)26-18(24(32)34-5)11-17-9-7-6-8-10-17/h6-10,18-23H,11-12H2,1-5H3,(H2,26,27,33)/t18-,19+,20+,21-,22+,23+/m0/s1
InChI key: NRACFQIEQXUZRT-JBAFQVTRSA-N
SMILES: COC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C
Systematic name  (3):
  • N-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシルカルバモイル)-L-フェニルアラニンメチル
  • メチル (2S)-3-フェニル-2-({[(2R,3R,4S,5R,6R)-3,4,5-トリス(アセチルオキシ)-6-[(アセチルオキシ)メチル]オキサン-2-イル]カルバモイル}アミノ)プロパノアート
  • methyl (2S)-3-phenyl-2-({[(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]carbamoyl}amino)propanoate
Other name (1):
  • N-(2-O,3-O,4-O,6-O-Tetraacetyl-β-D-glucopyranosylcarbamoyl)-L-phenylalanine methyl ester
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