Chem
J-GLOBAL ID：200907075830037756   Nikkaji number：J2.009.386B

N-[2-(Methylphenylsulfonio)ethoxycarbonyl]-L-alanine

N-[2-(メチルフェニルスルホニオ)エトキシカルボニル]-L-アラニン
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： C13H18NO4[S+]
Molecular formula furigana： C13-H18-N-O4-S
Molecular weight： 284.350
InChI： InChI=1S/C13H17NO4S/c1-10(12(15)16)14-13(17)18-8-9-19(2)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H-,14,15,16,17)/p+1/t10-,19?/m0/s1
InChI key： GMBSGWQUEPOGAG-IHBJSSOOSA-O
SMILES： C[C@H](NC(=O)OCC[S+](C)c1ccccc1)C(=O)O
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-アラニン
  • [2-({[(1S)-1-カルボキシエチル]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)-1-carboxyethyl]carbamoyl}oxy)ethyl](methyl)phenylsulfanium
Other name (1)：
  • N-[2-(Methylphenylsulfonio)ethoxycarbonyl]-L-alanine
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