Chem
J-GLOBAL ID:200907005517149430
Nikkaji number:J2.009.391I
N-[2-(Methylphenylsulfonio)ethoxycarbonyl]-L-aspartic acid 4-tert-butyl ester
N-[2-(メチルフェニルスルホニオ)エトキシカルボニル]-L-アスパラギン酸4-tert-ブチル
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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:
C18 H26 NO6 [S+]
Molecular formula furigana:
C18-H26-N-O6-S
Molecular weight:
384.470
InChI:
InChI=1S/C18H25NO6S/c1-18(2,3)25-15(20)12-14(16(21)22)19-17(23)24-10-11-26(4)13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3,(H-,19,21,22,23)/p+1/t14-,26?/m0/s1
InChI key:
VILZNRWZHVAWAZ-BAHZEXJQSA-O
SMILES:
C[S+](CCOC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)O)c1ccccc1
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-アスパラギン酸4-tert-ブチル
[2-({[(1S)-3-(tert-ブトキシ)-1-カルボキシ-3-オキソプロピル]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)-3-(tert-butoxy)-1-carboxy-3-oxopropyl]carbamoyl}oxy)ethyl](methyl)phenylsulfanium
Other name (1):
N-[2-(Methylphenylsulfonio)ethoxycarbonyl]-L-aspartic acid 4-tert-butyl ester
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