Chem
J-GLOBAL ID：200907046472729187   Nikkaji number：J2.051.098F

(1S)-2α-(1,2-Dioxo-2-hydroxyethyl)-3α-(tert-butoxycarbonylamino)cyclopropane-1β-carboxylic acid methyl ester

2-[(1S,2S,3S)-2-{[(tert-ブトキシ)カルボニル]アミノ}-3-(メトキシカルボニル)シクロプロピル]-2-オキソ酢酸
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： C12H17NO7
Molecular formula furigana： C12-H17-N-O7
Molecular weight： 287.268
InChI： InChI=1S/C12H17NO7/c1-12(2,3)20-11(18)13-7-5(8(14)9(15)16)6(7)10(17)19-4/h5-7H,1-4H3,(H,13,18)(H,15,16)/t5-,6-,7-/m0/s1
InChI key： JEBXCZSNWVHQLH-ACZMJKKPSA-N
SMILES： COC(=O)[C@@H]1[C@@H](NC(=O)OC(C)(C)C)[C@H]1C(=O)C(=O)O
Systematic name  (3)：
  • (1S)-2α-(1,2-ジオキソ-2-ヒドロキシエチル)-3α-(tert-ブトキシカルボニルアミノ)シクロプロパン-1β-カルボン酸メチル
  • 2-[(1S,2S,3S)-2-{[(tert-ブトキシ)カルボニル]アミノ}-3-(メトキシカルボニル)シクロプロピル]-2-オキソ酢酸
  • 2-[(1S,2S,3S)-2-{[(tert-butoxy)carbonyl]amino}-3-(methoxycarbonyl)cyclopropyl]-2-oxoacetic acid
Other name (1)：
  • (1S)-2α-(1,2-Dioxo-2-hydroxyethyl)-3α-(tert-butoxycarbonylamino)cyclopropane-1β-carboxylic acid methyl ester
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