Chem
J-GLOBAL ID:200907050715407580
Nikkaji number:J1.143.285I
(2S)-2-[[(1S)-1-Phenyl-3-hydroxypropyl]amino](2-13 C)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](2-13 C)ブタン二酸ジエチル
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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 [13 C]H25 NO5
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](2-13 C)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}(2-13 C)ブタンジオアート
1,4-diethyl (2S)-2-{[(1S)-3-hydroxy-1-phenylpropyl]amino}(2-13 C)butanedioate
Other name (1):
(2S)-2-[[(1S)-1-Phenyl-3-hydroxypropyl]amino](2-13 C)butanedioic acid diethyl ester
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