Chem
J-GLOBAL ID：200907044441343938   Nikkaji number：J2.323.357F

(2S,3S)-2-(Benzoylamino)-3-hydroxy-3-(4-tert-butylphenyl)propionic acid methyl ester

(2S,3S)-2-(ベンゾイルアミノ)-3-ヒドロキシ-3-(4-tert-ブチルフェニル)プロピオン酸メチル
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： C21H25NO4
Molecular formula furigana： C21-H25-N-O4
Molecular weight： 355.434
InChI： InChI=1S/C21H25NO4/c1-21(2,3)16-12-10-14(11-13-16)18(23)17(20(25)26-4)22-19(24)15-8-6-5-7-9-15/h5-13,17-18,23H,1-4H3,(H,22,24)/t17-,18-/m0/s1
InChI key： ARHDTIGQGMWLDR-ROUUACIJSA-N
SMILES： COC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](O)c1ccc(cc1)C(C)(C)C
Systematic name  (3)：
  • (2S,3S)-2-(ベンゾイルアミノ)-3-ヒドロキシ-3-(4-tert-ブチルフェニル)プロピオン酸メチル
  • メチル (2S,3S)-3-(4-tert-ブチルフェニル)-3-ヒドロキシ-2-(フェニルホルムアミド)プロパノアート
  • methyl (2S,3S)-3-(4-tert-butylphenyl)-3-hydroxy-2-(phenylformamido)propanoate
Other name (1)：
  • (2S,3S)-2-(Benzoylamino)-3-hydroxy-3-(4-tert-butylphenyl)propionic acid methyl ester
Thsaurus map：
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