Chem
J-GLOBAL ID：200907012598268400   Nikkaji number：J1.550.425K

(3S)-N-(tert-Butoxycarbonyl)-3-[3-(methoxymethoxy)-4-hydroxy-5-chlorophenyl]-β-alanine methyl ester

(3S)-N-(tert-ブトキシカルボニル)-3-[3-(メトキシメトキシ)-4-ヒドロキシ-5-クロロフェニル]-β-アラニンメチル
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： C17H24ClNO7
Molecular formula furigana： C17-H24-CL-N-O7
Molecular weight： 389.830
InChI： InChI=1S/C17H24ClNO7/c1-17(2,3)26-16(22)19-12(8-14(20)24-5)10-6-11(18)15(21)13(7-10)25-9-23-4/h6-7,12,21H,8-9H2,1-5H3,(H,19,22)/t12-/m0/s1
InChI key： XSTPRBBNKGMNFS-LBPRGKRZSA-N
SMILES： COCOc1cc(cc(Cl)c1O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C
Systematic name  (3)：
  • (3S)-N-(tert-ブトキシカルボニル)-3-[3-(メトキシメトキシ)-4-ヒドロキシ-5-クロロフェニル]-β-アラニンメチル
  • メチル (3S)-3-{[(tert-ブトキシ)カルボニル]アミノ}-3-[3-クロロ-4-ヒドロキシ-5-(メトキシメトキシ)フェニル]プロパノアート
  • methyl (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-[3-chloro-4-hydroxy-5-(methoxymethoxy)phenyl]propanoate
Other name (1)：
  • (3S)-N-(tert-Butoxycarbonyl)-3-[3-(methoxymethoxy)-4-hydroxy-5-chlorophenyl]-β-alanine methyl ester
Thsaurus map：
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