Chem
J-GLOBAL ID:200907048554316258   Nikkaji number:J851.411I

(2S)-2-[(tert-Butyloxycarbonyl)amino]-3-[(2-phenyl-4-oxo-3,4-dihydropyrimidin)-5-yl]propionic acid tert-butyl ester

(2S)-2-[(tert-ブチルオキシカルボニル)アミノ]-3-[(2-フェニル-4-オキソ-3,4-ジヒドロピリミジン)-5-イル]プロピオン酸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: C22H29N3O5
Molecular formula furigana: C22-H29-N3-O5
Molecular weight: 415.490
InChI: InChI=1S/C22H29N3O5/c1-21(2,3)29-19(27)16(24-20(28)30-22(4,5)6)12-15-13-23-17(25-18(15)26)14-10-8-7-9-11-14/h7-11,13,16H,12H2,1-6H3,(H,24,28)(H,23,25,26)/t16-/m0/s1
InChI key: DWWZZPSZFSIUHR-INIZCTEOSA-N
SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1cnc([nH]c1=O)c1ccccc1)C(=O)OC(C)(C)C
Systematic name  (3):
  • (2S)-2-[(tert-ブチルオキシカルボニル)アミノ]-3-[(2-フェニル-4-オキソ-3,4-ジヒドロピリミジン)-5-イル]プロピオン酸tert-ブチル
  • tert-ブチル (2S)-2-{[(tert-ブトキシ)カルボニル]アミノ}-3-(6-オキソ-2-フェニル-1,6-ジヒドロピリミジン-5-イル)プロパノアート
  • tert-butyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(6-oxo-2-phenyl-1,6-dihydropyrimidin-5-yl)propanoate
Other name (1):
  • (2S)-2-[(tert-Butyloxycarbonyl)amino]-3-[(2-phenyl-4-oxo-3,4-dihydropyrimidin)-5-yl]propionic acid tert-butyl ester
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