Chem
J-GLOBAL ID:200907004487328273   Nikkaji number:J2.009.392G

Nα-[2-(Methylphenylsulfonio)ethoxycarbonyl]-1-(tert-butyloxycarbonyl)-L-tryptophan

Nα-[2-(メチルフェニルスルホニオ)エトキシカルボニル]-1-(tert-ブチルオキシカルボニル)-L-トリプトファン
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: C26H31N2O6[S+]
Molecular formula furigana: C26-H31-N2-O6-S
Molecular weight: 499.600
InChI: InChI=1S/C26H30N2O6S/c1-26(2,3)34-25(32)28-17-18(20-12-8-9-13-22(20)28)16-21(23(29)30)27-24(31)33-14-15-35(4)19-10-6-5-7-11-19/h5-13,17,21H,14-16H2,1-4H3,(H-,27,29,30,31)/p+1/t21-,35?/m0/s1
InChI key: KBIBWZMOEIYACK-YEMWWFHJSA-O
SMILES: C[S+](CCOC(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)O)c1ccccc1
Systematic name  (3):
  • Nα-[2-(メチルフェニルスルホニオ)エトキシカルボニル]-1-(tert-ブチルオキシカルボニル)-L-トリプトファン
  • [2-({[(1S)-2-{1-[(tert-ブトキシ)カルボニル]-1H-インドール-3-イル}-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-{1-[(tert-butoxy)carbonyl]-1H-indol-3-yl}-1-carboxyethyl]carbamoyl}oxy)ethyl](methyl)phenylsulfanium
Other name (1):
  • Nα-[2-(Methylphenylsulfonio)ethoxycarbonyl]-1-(tert-butyloxycarbonyl)-L-tryptophan
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