Chem
J-GLOBAL ID:200907048716308599   Nikkaji number:J633.888G

1-(p-Nitrobenzoyloxymethyl)-4α-mercaptopyrrolidine-2α-carboxylic acid benzyl ester

1-(p-ニトロベンゾイルオキシメチル)-4α-メルカプトピロリジン-2α-カルボン酸ベンジル
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: C20H20N[N+]O5[O-]S
Molecular formula furigana: C20-H20-N2-O6-S
Molecular weight: 416.450
InChI: InChI=1S/C20H20N2O6S/c23-19(15-6-8-16(9-7-15)22(25)26)28-13-21-11-17(29)10-18(21)20(24)27-12-14-4-2-1-3-5-14/h1-9,17-18,29H,10-13H2/t17-,18-/m0/s1
InChI key: SFCRQXYYWNRBMA-ROUUACIJSA-N
SMILES: [O-][N+](=O)c1ccc(cc1)C(=O)OCN1C[C@@H](S)C[C@H]1C(=O)OCc1ccccc1
Systematic name  (3):
  • 1-(p-ニトロベンゾイルオキシメチル)-4α-メルカプトピロリジン-2α-カルボン酸ベンジル
  • ベンジル (2S,4S)-1-[(4-ニトロベンゾイルオキシ)メチル]-4-スルファニルピロリジン-2-カルボキシラート
  • benzyl (2S,4S)-1-[(4-nitrobenzoyloxy)methyl]-4-sulfanylpyrrolidine-2-carboxylate
Other name (1):
  • 1-(p-Nitrobenzoyloxymethyl)-4α-mercaptopyrrolidine-2α-carboxylic acid benzyl ester
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