Chem
J-GLOBAL ID：200907094470267970   Nikkaji number：J2.697.152G

N2-(tert-Butoxycarbonyl)-N4-(4-methoxybenzyl)-D-asparagine tert-butyl ester

N2-(tert-ブトキシカルボニル)-N4-(4-メトキシベンジル)-D-アスパラギンtert-ブチル
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： C21H32N2O6
Molecular formula furigana： C21-H32-N2-O6
Molecular weight： 408.495
InChI： InChI=1S/C21H32N2O6/c1-20(2,3)28-18(25)16(23-19(26)29-21(4,5)6)12-17(24)22-13-14-8-10-15(27-7)11-9-14/h8-11,16H,12-13H2,1-7H3,(H,22,24)(H,23,26)/t16-/m1/s1
InChI key： WISAWQUMTCRPEY-MRXNPFEDSA-N
SMILES： COc1ccc(CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1
Systematic name  (3)：
  • N2-(tert-ブトキシカルボニル)-N4-(4-メトキシベンジル)-D-アスパラギンtert-ブチル
  • tert-ブチル (2R)-2-{[(tert-ブトキシ)カルボニル]アミノ}-3-{[(4-メトキシフェニル)メチル]カルバモイル}プロパノアート
  • tert-butyl (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-{[(4-methoxyphenyl)methyl]carbamoyl}propanoate
Other name (1)：
  • N2-(tert-Butoxycarbonyl)-N4-(4-methoxybenzyl)-D-asparagine tert-butyl ester
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