Chem
J-GLOBAL ID:200907048752457088   Nikkaji number:J1.953.383B

(3R)-2-Cyano-3-(4-chlorophenyl)-5-oxo-5-(benzoylamino)pentanoic acid methyl ester

メチル (3R)-4-(ベンゾイルカルバモイル)-3-(4-クロロフェニル)-2-シアノブタノアート
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: C20H17ClN2O4
Molecular formula furigana: C20-H17-CL-N2-O4
Molecular weight: 384.820
InChI: InChI=1S/C20H17ClN2O4/c1-27-20(26)17(12-22)16(13-7-9-15(21)10-8-13)11-18(24)23-19(25)14-5-3-2-4-6-14/h2-10,16-17H,11H2,1H3,(H,23,24,25)/t16-,17?/m0/s1
InChI key: INGMSVBNTYLQKF-BHWOMJMDSA-N
SMILES: COC(=O)C(C#N)[C@@H](CC(=O)NC(=O)c1ccccc1)c1ccc(Cl)cc1
Systematic name  (3):
  • (3R)-2-シアノ-3-(4-クロロフェニル)-5-オキソ-5-(ベンゾイルアミノ)ペンタン酸メチル
  • メチル (3R)-4-(ベンゾイルカルバモイル)-3-(4-クロロフェニル)-2-シアノブタノアート
  • methyl (3R)-4-(benzoylcarbamoyl)-3-(4-chlorophenyl)-2-cyanobutanoate
Other name (1):
  • (3R)-2-Cyano-3-(4-chlorophenyl)-5-oxo-5-(benzoylamino)pentanoic acid methyl ester
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