Chem
J-GLOBAL ID：200907032292181344   Nikkaji number：J2.583.417H

N-[(S)-Fluorocyano(4-methylphenyl)acetyl]-L-valine methyl ester

N-[(S)-フルオロシアノ(4-メチルフェニル)アセチル]-L-バリンメチル
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： C16H19FN2O3
Molecular formula furigana： C16-H19-F-N2-O3
Molecular weight： 306.337
InChI： InChI=1S/C16H19FN2O3/c1-10(2)13(14(20)22-4)19-15(21)16(17,9-18)12-7-5-11(3)6-8-12/h5-8,10,13H,1-4H3,(H,19,21)/t13-,16+/m0/s1
InChI key： HFFGUPNSAUCJAB-XJKSGUPXSA-N
SMILES： COC(=O)[C@@H](NC(=O)[C@@](F)(C#N)c1ccc(C)cc1)C(C)C
Systematic name  (3)：
  • N-[(S)-フルオロシアノ(4-メチルフェニル)アセチル]-L-バリンメチル
  • メチル (2S)-2-[(2S)-2-シアノ-2-フルオロ-2-(4-メチルフェニル)アセトアミド]-3-メチルブタノアート
  • methyl (2S)-2-[(2S)-2-cyano-2-fluoro-2-(4-methylphenyl)acetamido]-3-methylbutanoate
Other name (1)：
  • N-[(S)-Fluorocyano(4-methylphenyl)acetyl]-L-valine methyl ester
Thsaurus map：
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