Chem
J-GLOBAL ID:201007097926008700   Nikkaji number:J2.801.057E

(2S,4S)-1-[3-(Benzoylthio)-2-methyl-1-oxopropyl]-4-(phenylthio)-2-pyrrolidinecarboxylic acid

(2S,4S)-1-[3-(ベンゾイルチオ)-2-メチル-1-オキソプロピル]-4-(フェニルチオ)-2-ピロリジンカルボン酸
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: C22H23NO4S2
Molecular formula furigana: C22-H23-N-O4-S2
Molecular weight: 429.550
InChI: InChI=1S/C22H23NO4S2/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,25,26)/t15?,18-,19-/m0/s1
InChI key: IAIDUHCBNLFXEF-IROOXBOJSA-N
SMILES: CC(CSC(=O)c1ccccc1)C(=O)N1C[C@H](C[C@H]1C(=O)O)Sc1ccccc1
Systematic name  (3):
  • (2S,4S)-1-[3-(ベンゾイルチオ)-2-メチル-1-オキソプロピル]-4-(フェニルチオ)-2-ピロリジンカルボン酸
  • (2S,4S)-1-[3-(ベンゾイルスルファニル)-2-メチルプロパノイル]-4-(フェニルスルファニル)ピロリジン-2-カルボン酸
  • (2S,4S)-1-[3-(benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)pyrrolidine-2-carboxylic acid
Other name (1):
  • (2S,4S)-1-[3-(Benzoylthio)-2-methyl-1-oxopropyl]-4-(phenylthio)-2-pyrrolidinecarboxylic acid
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