Chem
J-GLOBAL ID：200907012196130584   Nikkaji number：J2.009.389G

O-tert-Butyl-N-[2-(methylphenylsulfonio)ethoxycarbonyl]-L-tyrosine

O-tert-ブチル-N-[2-(メチルフェニルスルホニオ)エトキシカルボニル]-L-チロシン
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： C23H30NO5[S+]
Molecular formula furigana： C23-H30-N-O5-S
Molecular weight： 432.550
InChI： InChI=1S/C23H29NO5S/c1-23(2,3)29-18-12-10-17(11-13-18)16-20(21(25)26)24-22(27)28-14-15-30(4)19-8-6-5-7-9-19/h5-13,20H,14-16H2,1-4H3,(H-,24,25,26,27)/p+1/t20-,30?/m0/s1
InChI key： CUXPEQDYUUHZQI-JGZNSJETSA-O
SMILES： C[S+](CCOC(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)O)c1ccccc1
Systematic name  (3)：
  • O-tert-ブチル-N-[2-(メチルフェニルスルホニオ)エトキシカルボニル]-L-チロシン
  • [2-({[(1S)-2-[4-(tert-ブトキシ)フェニル]-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)-2-[4-(tert-butoxy)phenyl]-1-carboxyethyl]carbamoyl}oxy)ethyl](methyl)phenylsulfanium
Other name (1)：
  • O-tert-Butyl-N-[2-(methylphenylsulfonio)ethoxycarbonyl]-L-tyrosine
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