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
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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:
C26 H31 N2 O6 [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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