Chem
J-GLOBAL ID：200907024450197110   Nikkaji number：J2.009.387K

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

N-[2-(メチルフェニルスルホニオ)エトキシカルボニル]-L-バリン
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： C15H22NO4[S+]
Molecular formula furigana： C15-H22-N-O4-S
Molecular weight： 312.400
InChI： InChI=1S/C15H21NO4S/c1-11(2)13(14(17)18)16-15(19)20-9-10-21(3)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H-,16,17,18,19)/p+1/t13-,21?/m0/s1
InChI key： JNKMIDKLPRAHLW-JRTLGTJJSA-O
SMILES： CC(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-バリン
  • [2-({[(1S)-1-カルボキシ-2-メチルプロピル]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)-1-carboxy-2-methylpropyl]carbamoyl}oxy)ethyl](methyl)phenylsulfanium
Other name (1)：
  • N-[2-(Methylphenylsulfonio)ethoxycarbonyl]-L-valine
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