Chem
J-GLOBAL ID：200907068143690095   Nikkaji number：J2.009.388I

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

N-[2-(メチルフェニルスルホニオ)エトキシカルボニル]-L-イソロイシン
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： C16H24NO4[S+]
Molecular formula furigana： C16-H24-N-O4-S
Molecular weight： 326.430
InChI： InChI=1S/C16H23NO4S/c1-4-12(2)14(15(18)19)17-16(20)21-10-11-22(3)13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H-,17,18,19,20)/p+1/t12-,14-,22?/m0/s1
InChI key： VMIWBWBYWGVDMZ-JNIPKQEISA-O
SMILES： CC[C@H](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-イソロイシン
  • [2-({[(1S,2S)-1-カルボキシ-2-メチルブチル]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,2S)-1-carboxy-2-methylbutyl]carbamoyl}oxy)ethyl](methyl)phenylsulfanium
Other name (1)：
  • N-[2-(Methylphenylsulfonio)ethoxycarbonyl]-L-isoleucine
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