Chem
J-GLOBAL ID:200907050715407580   Nikkaji number:J1.143.285I

(2S)-2-[[(1S)-1-Phenyl-3-hydroxypropyl]amino](2-13C)butanedioic acid diethyl ester

(2S)-2-[[(1S)-1-フェニル-3-ヒドロキシプロピル]アミノ](2-13C)ブタン二酸ジエチル
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: C16[13C]H25NO5
Molecular formula furigana: C17-H25-N-O5
Molecular weight: 324.381
InChI: InChI=1S/C17H25NO5/c1-3-22-16(20)12-15(17(21)23-4-2)18-14(10-11-19)13-8-6-5-7-9-13/h5-9,14-15,18-19H,3-4,10-12H2,1-2H3/t14-,15-/m0/s1/i15+1
InChI key: UQWXLXGZUXAGFC-KURATYOOSA-N
SMILES: CCOC(=O)C[13C@H](N[C@@H](CCO)c1ccccc1)C(=O)OCC
Systematic name  (3):
  • (2S)-2-[[(1S)-1-フェニル-3-ヒドロキシプロピル]アミノ](2-13C)ブタン二酸ジエチル
  • 1,4-ジエチル (2S)-2-{[(1S)-3-ヒドロキシ-1-フェニルプロピル]アミノ}(2-13C)ブタンジオアート
  • 1,4-diethyl (2S)-2-{[(1S)-3-hydroxy-1-phenylpropyl]amino}(2-13C)butanedioate
Other name (1):
  • (2S)-2-[[(1S)-1-Phenyl-3-hydroxypropyl]amino](2-13C)butanedioic acid diethyl ester
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