Chem
J-GLOBAL ID：200907099056346992   Nikkaji number：J917.651I

4-[[(αS)-α-(Hydroxymethyl)phenethyl]amino]-4-oxo-2-butenoic acid

4-[[(αS)-α-(ヒドロキシメチル)フェネチル]アミノ]-4-オキソ-2-ブテン酸
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： C13H15NO4
Molecular formula furigana： C13-H15-N-O4
Molecular weight： 249.266
InChI： InChI=1S/C13H15NO4/c15-9-11(8-10-4-2-1-3-5-10)14-12(16)6-7-13(17)18/h1-7,11,15H,8-9H2,(H,14,16)(H,17,18)/t11-/m0/s1
InChI key： XPTAZZZAOJOXSV-NSHDSACASA-N
SMILES： OC[C@H](Cc1ccccc1)NC(=O)C=CC(=O)O
Systematic name  (3)：
  • 4-[[(αS)-α-(ヒドロキシメチル)フェネチル]アミノ]-4-オキソ-2-ブテン酸
  • 3-{[(2S)-1-ヒドロキシ-3-フェニルプロパン-2-イル]カルバモイル}プロパ-2-エン酸
  • 3-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl}prop-2-enoic acid
Other name (1)：
  • 4-[[(αS)-α-(Hydroxymethyl)phenethyl]amino]-4-oxo-2-butenoic acid
Thsaurus map：
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