Chem
J-GLOBAL ID：200907010761726604   Nikkaji number：J2.583.418F

N-[(S)-Fluorocyano(4-methylphenyl)acetyl]-3-methyl-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]-3-メチル-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： C17H21FN2O3
Molecular formula furigana： C17-H21-F-N2-O3
Molecular weight： 320.364
InChI： InChI=1S/C17H21FN2O3/c1-11-6-8-12(9-7-11)17(18,10-19)15(22)20-13(14(21)23-5)16(2,3)4/h6-9,13H,1-5H3,(H,20,22)/t13-,17-/m1/s1
InChI key： WWRIZMNEUFAGNK-CXAGYDPISA-N
SMILES： COC(=O)[C@@H](NC(=O)[C@@](F)(C#N)c1ccc(C)cc1)C(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]-3-メチル-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]-3,3-ジメチルブタノアート
  • methyl (2S)-2-[(2S)-2-cyano-2-fluoro-2-(4-methylphenyl)acetamido]-3,3-dimethylbutanoate
Other name (1)：
  • N-[(S)-Fluorocyano(4-methylphenyl)acetyl]-3-methyl-L-valine methyl ester
Thsaurus map：
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