Chem
J-GLOBAL ID：200907081971884754   Nikkaji number：J2.583.425I

Nα-[(S)-Fluorocyano(4-methylphenyl)acetyl]-L-tryptophan methyl ester

Nα-[(S)-フルオロシアノ(4-メチルフェニル)アセチル]-L-トリプトファンメチル
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： C22H20FN3O3
Molecular formula furigana： C22-H20-F-N3-O3
Molecular weight： 393.418
InChI： InChI=1S/C22H20FN3O3/c1-14-7-9-16(10-8-14)22(23,13-24)21(28)26-19(20(27)29-2)11-15-12-25-18-6-4-3-5-17(15)18/h3-10,12,19,25H,11H2,1-2H3,(H,26,28)/t19-,22+/m0/s1
InChI key： RIRAYGFYVUADCC-SIKLNZKXSA-N
SMILES： COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@](F)(C#N)c1ccc(C)cc1
Systematic name  (3)：
  • Nα-[(S)-フルオロシアノ(4-メチルフェニル)アセチル]-L-トリプトファンメチル
  • 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-(1H-インドール-3-イル)プロパノアート
  • methyl (2S)-2-[(2S)-2-cyano-2-fluoro-2-(4-methylphenyl)acetamido]-3-(1H-indol-3-yl)propanoate
Other name (1)：
  • Nα-[(S)-Fluorocyano(4-methylphenyl)acetyl]-L-tryptophan methyl ester
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