Chem
J-GLOBAL ID:200907095745284117   Nikkaji number:J2.436.888B

Propanethioic acid S-[(1S,2R)-1-phenyl-2-[(mesitylsulfonyl)benzylamino]propyl] ester

プロパンチオ酸S-[(1S,2R)-1-フェニル-2-[(メシチルスルホニル)ベンジルアミノ]プロピル]
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: C28H33NO3S2
Molecular formula furigana: C28-H33-N-O3-S2
Molecular weight: 495.700
InChI: InChI=1S/C28H33NO3S2/c1-6-26(30)33-27(25-15-11-8-12-16-25)23(5)29(19-24-13-9-7-10-14-24)34(31,32)28-21(3)17-20(2)18-22(28)4/h7-18,23,27H,6,19H2,1-5H3/t23-,27-/m1/s1
InChI key: TWRKNPSPPVIKRF-YIXXDRMTSA-N
SMILES: CCC(=O)S[C@H]([C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C)c1ccccc1
Systematic name  (3):
  • プロパンチオ酸S-[(1S,2R)-1-フェニル-2-[(メシチルスルホニル)ベンジルアミノ]プロピル]
  • 1-{[(1S,2R)-2-(N-ベンジル2,4,6-トリメチルベンゼンスルホンアミド)-1-フェニルプロピル]スルファニル}プロパン-1-オン
  • 1-{[(1S,2R)-2-(N-benzyl2,4,6-trimethylbenzenesulfonamido)-1-phenylpropyl]sulfanyl}propan-1-one
Other name (1):
  • Propanethioic acid S-[(1S,2R)-1-phenyl-2-[(mesitylsulfonyl)benzylamino]propyl] ester
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