Chem
J-GLOBAL ID:200907071770079890   Nikkaji number:J2.583.424K

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

N-[(S)-フルオロシアノ(4-メチルフェニル)アセチル]-L-フェニルアラニンメチル
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: C20H19FN2O3
Molecular formula furigana: C20-H19-F-N2-O3
Molecular weight: 354.381
InChI: InChI=1S/C20H19FN2O3/c1-14-8-10-16(11-9-14)20(21,13-22)19(25)23-17(18(24)26-2)12-15-6-4-3-5-7-15/h3-11,17H,12H2,1-2H3,(H,23,25)/t17-,20+/m0/s1
InChI key: RRSBFXQUSQDVAM-FXAWDEMLSA-N
SMILES: COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@](F)(C#N)c1ccc(C)cc1
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-フェニルアラニンメチル
  • 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-フェニルプロパノアート
  • methyl (2S)-2-[(2S)-2-cyano-2-fluoro-2-(4-methylphenyl)acetamido]-3-phenylpropanoate
Other name (1):
  • N-[(S)-Fluorocyano(4-methylphenyl)acetyl]-L-phenylalanine methyl ester
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