Chem
J-GLOBAL ID:200907060237342162   Nikkaji number:J2.209.299E

Acetic acid (1R,2S)-1-(chloromethyl)-2-(tert-butoxycarbonylamino)-3-phenylpropyl ester

酢酸(1R,2S)-1-(クロロメチル)-2-(tert-ブトキシカルボニルアミノ)-3-フェニルプロピル
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: C17H24ClNO4
Molecular formula furigana: C17-H24-CL-N-O4
Molecular weight: 341.830
InChI: InChI=1S/C17H24ClNO4/c1-12(20)22-15(11-18)14(10-13-8-6-5-7-9-13)19-16(21)23-17(2,3)4/h5-9,14-15H,10-11H2,1-4H3,(H,19,21)/t14-,15-/m0/s1
InChI key: XKQKTSGIWOBQSJ-GJZGRUSLSA-N
SMILES: CC(=O)O[C@@H](CCl)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Systematic name  (3):
  • 酢酸(1R,2S)-1-(クロロメチル)-2-(tert-ブトキシカルボニルアミノ)-3-フェニルプロピル
  • (2R,3S)-3-{[(tert-ブトキシ)カルボニル]アミノ}-1-クロロ-4-フェニルブタン-2-イル アセタート
  • (2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-1-chloro-4-phenylbutan-2-yl acetate
Other name (1):
  • Acetic acid (1R,2S)-1-(chloromethyl)-2-(tert-butoxycarbonylamino)-3-phenylpropyl ester
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