Chem
J-GLOBAL ID:200907069334501957
Nikkaji number:J2.583.414C
N-[(S)-Fluorocyano(4-methylphenyl)acetyl]-L-alanine methyl ester
N-[(S)-フルオロシアノ(4-メチルフェニル)アセチル]-L-アラニンメチル
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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:
C14 H15 FN2 O3
Molecular formula furigana:
C14-H15-F-N2-O3
Molecular weight:
278.283
InChI:
InChI=1S/C14H15FN2O3/c1-9-4-6-11(7-5-9)14(15,8-16)13(19)17-10(2)12(18)20-3/h4-7,10H,1-3H3,(H,17,19)/t10-,14+/m0/s1
InChI key:
WKIHVEUOAWJCJV-IINYFYTJSA-N
SMILES:
COC(=O)[C@H](C)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-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]プロパノアート
methyl (2S)-2-[(2S)-2-cyano-2-fluoro-2-(4-methylphenyl)acetamido]propanoate
Other name (1):
N-[(S)-Fluorocyano(4-methylphenyl)acetyl]-L-alanine methyl ester
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