Chem
J-GLOBAL ID:200907003522329770   Nikkaji number:J2.165.310A

2-[4-[(S)-2-Amino-3-oxo-3-hydroxypropyl]benzyl]malonic acid di-tert-butyl ester

2-[4-[(S)-2-アミノ-3-オキソ-3-ヒドロキシプロピル]ベンジル]マロン酸ジ-tert-ブチル
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: C21H31NO6
Molecular formula furigana: C21-H31-N-O6
Molecular weight: 393.480
InChI: InChI=1S/C21H31NO6/c1-20(2,3)27-18(25)15(19(26)28-21(4,5)6)11-13-7-9-14(10-8-13)12-16(22)17(23)24/h7-10,15-16H,11-12,22H2,1-6H3,(H,23,24)/t16-/m0/s1
InChI key: RZOPPQZLQOYLMC-INIZCTEOSA-N
SMILES: CC(C)(C)OC(=O)C(Cc1ccc(C[C@H](N)C(=O)O)cc1)C(=O)OC(C)(C)C
Systematic name  (3):
  • 2-[4-[(S)-2-アミノ-3-オキソ-3-ヒドロキシプロピル]ベンジル]マロン酸ジ-tert-ブチル
  • (2S)-2-アミノ-3-{4-[3-(tert-ブトキシ)-2-[(tert-ブトキシ)カルボニル]-3-オキソプロピル]フェニル}プロパン酸
  • (2S)-2-amino-3-{4-[3-(tert-butoxy)-2-[(tert-butoxy)carbonyl]-3-oxopropyl]phenyl}propanoic acid
Other name (1):
  • 2-[4-[(S)-2-Amino-3-oxo-3-hydroxypropyl]benzyl]malonic acid di-tert-butyl ester
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