Chem
J-GLOBAL ID:200907018195314337   Nikkaji number:J772.730E

(2S,3S)-N-(Ethoxycarbonyl)-2-iodo-3-phenyl-β-alanine methyl ester

(2S,3S)-N-(エトキシカルボニル)-2-ヨード-3-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: C13H16INO4
Molecular formula furigana: C13-H16-I-N-O4
Molecular weight: 377.178
InChI: InChI=1S/C13H16INO4/c1-3-19-13(17)15-11(10(14)12(16)18-2)9-7-5-4-6-8-9/h4-8,10-11H,3H2,1-2H3,(H,15,17)/t10-,11-/m0/s1
InChI key: IXROOXRTBGPKIF-QWRGUYRKSA-N
SMILES: CCOC(=O)N[C@H]([C@H](I)C(=O)OC)c1ccccc1
Systematic name  (3):
  • (2S,3S)-N-(エトキシカルボニル)-2-ヨード-3-フェニル-β-アラニンメチル
  • メチル (2S,3S)-3-[(エトキシカルボニル)アミノ]-2-ヨード-3-フェニルプロパノアート
  • methyl (2S,3S)-3-[(ethoxycarbonyl)amino]-2-iodo-3-phenylpropanoate
Other name (1):
  • (2S,3S)-N-(Ethoxycarbonyl)-2-iodo-3-phenyl-β-alanine methyl ester
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