Chem
J-GLOBAL ID：200907079835168595   Nikkaji number：J2.232.680E

N-(Isocyanoacetyl)valine methyl ester

N-(イソシアノアセチル)バリンメチル
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： C8[C-]H14N[N+]O3
Molecular formula furigana： C9-H14-N2-O3
Molecular weight： 198.222
InChI： InChI=1S/C9H14N2O3/c1-6(2)8(9(13)14-4)11-7(12)5-10-3/h6,8H,5H2,1-2,4H3,(H,11,12)/t8-/m0/s1
InChI key： MOKZUTBCFKEUNT-QMMMGPOBSA-N
SMILES： COC(=O)[C@@H](NC(=O)C[N+]#[C-])C(C)C
Systematic name  (3)：
  • N-(イソシアノアセチル)バリンメチル
  • メチル (2S)-2-(2-イソシアノアセトアミド)-3-メチルブタノアート
  • methyl (2S)-2-(2-isocyanoacetamido)-3-methylbutanoate
Other name (1)：
  • N-(Isocyanoacetyl)valine methyl ester
Thsaurus map：
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