Chem
J-GLOBAL ID：200907032162380825   Nikkaji number：J2.583.423B

N-[(S)-Fluorocyano(4-methylphenyl)acetyl]-O-benzyl-L-threonine methyl ester

N-[(S)-フルオロシアノ(4-メチルフェニル)アセチル]-O-ベンジル-L-トレオニンメチル
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： C22H23FN2O4
Molecular formula furigana： C22-H23-F-N2-O4
Molecular weight： 398.434
InChI： InChI=1S/C22H23FN2O4/c1-15-9-11-18(12-10-15)22(23,14-24)21(27)25-19(20(26)28-3)16(2)29-13-17-7-5-4-6-8-17/h4-12,16,19H,13H2,1-3H3,(H,25,27)/t16-,19+,22-/m1/s1
InChI key： SSCWOSJXVSTDPX-GTCCEBARSA-N
SMILES： COC(=O)[C@@H](NC(=O)[C@@](F)(C#N)c1ccc(C)cc1)[C@@H](C)OCc1ccccc1
Systematic name  (3)：
  • N-[(S)-フルオロシアノ(4-メチルフェニル)アセチル]-O-ベンジル-L-トレオニンメチル
  • メチル (2S,3R)-3-(ベンジルオキシ)-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]ブタノアート
  • methyl (2S,3R)-3-(benzyloxy)-2-[(2S)-2-cyano-2-fluoro-2-(4-methylphenyl)acetamido]butanoate
Other name (1)：
  • N-[(S)-Fluorocyano(4-methylphenyl)acetyl]-O-benzyl-L-threonine methyl ester
Thsaurus map：
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