Chem
J-GLOBAL ID：200907061783282789   Nikkaji number：J2.583.415A

(S)-3-[[(S)-Fluorocyano(4-methylphenyl)acetyl]amino]-5-methylhexanoic acid methyl ester

(S)-3-[[(S)-フルオロシアノ(4-メチルフェニル)アセチル]アミノ]-5-メチルヘキサン酸メチル
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： C18H23FN2O3
Molecular formula furigana： C18-H23-F-N2-O3
Molecular weight： 334.391
InChI： InChI=1S/C18H23FN2O3/c1-12(2)9-15(10-16(22)24-4)21-17(23)18(19,11-20)14-7-5-13(3)6-8-14/h5-8,12,15H,9-10H2,1-4H3,(H,21,23)/t15-,18+/m0/s1
InChI key： POTLGVBRNCFWOT-MAUKXSAKSA-N
SMILES： COC(=O)C[C@H](CC(C)C)NC(=O)[C@@](F)(C#N)c1ccc(C)cc1
Systematic name  (3)：
  • (S)-3-[[(S)-フルオロシアノ(4-メチルフェニル)アセチル]アミノ]-5-メチルヘキサン酸メチル
  • メチル (3S)-3-[(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]-5-メチルヘキサノアート
  • methyl (3S)-3-[(2S)-2-cyano-2-fluoro-2-(4-methylphenyl)acetamido]-5-methylhexanoate
Other name (1)：
  • (S)-3-[[(S)-Fluorocyano(4-methylphenyl)acetyl]amino]-5-methylhexanoic acid methyl ester
Thsaurus map：
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