Chem
J-GLOBAL ID:200907005517149430   Nikkaji number:J2.009.391I

N-[2-(Methylphenylsulfonio)ethoxycarbonyl]-L-aspartic acid 4-tert-butyl ester

N-[2-(メチルフェニルスルホニオ)エトキシカルボニル]-L-アスパラギン酸4-tert-ブチル
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: C18H26NO6[S+]
Molecular formula furigana: C18-H26-N-O6-S
Molecular weight: 384.470
InChI: InChI=1S/C18H25NO6S/c1-18(2,3)25-15(20)12-14(16(21)22)19-17(23)24-10-11-26(4)13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3,(H-,19,21,22,23)/p+1/t14-,26?/m0/s1
InChI key: VILZNRWZHVAWAZ-BAHZEXJQSA-O
SMILES: C[S+](CCOC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)O)c1ccccc1
Systematic name  (3):
  • N-[2-(メチルフェニルスルホニオ)エトキシカルボニル]-L-アスパラギン酸4-tert-ブチル
  • [2-({[(1S)-3-(tert-ブトキシ)-1-カルボキシ-3-オキソプロピル]カルバモイル}オキシ)エチル](メチル)フェニルスルファニウム
  • [2-({[(1S)-3-(tert-butoxy)-1-carboxy-3-oxopropyl]carbamoyl}oxy)ethyl](methyl)phenylsulfanium
Other name (1):
  • N-[2-(Methylphenylsulfonio)ethoxycarbonyl]-L-aspartic acid 4-tert-butyl ester
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