Chem
J-GLOBAL ID：201707004187991046   Nikkaji number：J3.666.424J

(2S,3R)-2-Phenyl-2-(propinoylamino)-3-(2-thienyl)-3-(2-hydroxyanilino)propanoic acid methyl ester

(2S,3R)-2-フェニル-2-(プロピノイルアミノ)-3-(2-チエニル)-3-(2-ヒドロキシアニリノ)プロパン酸メチル
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： C23H20N2O4S
Molecular formula furigana： C23-H20-N2-O4-S
Molecular weight： 420.480
InChI： InChI=1S/C23H20N2O4S/c1-3-20(27)25-23(22(28)29-2,16-10-5-4-6-11-16)21(19-14-9-15-30-19)24-17-12-7-8-13-18(17)26/h1,4-15,21,24,26H,2H3,(H,25,27)/t21-,23-/m0/s1
InChI key： YKTBJMXHRJLMPU-GMAHTHKFSA-N
SMILES： COC(=O)[C@@](NC(=O)C#C)([C@@H](Nc1ccccc1O)c1cccs1)c1ccccc1
Systematic name  (3)：
  • (2S,3R)-2-フェニル-2-(プロピノイルアミノ)-3-(2-チエニル)-3-(2-ヒドロキシアニリノ)プロパン酸メチル
  • メチル (2S,3R)-3-[(2-ヒドロキシフェニル)アミノ]-2-フェニル-2-(プロパ-2-インアミド)-3-(チオフェン-2-イル)プロパノアート
  • methyl (2S,3R)-3-[(2-hydroxyphenyl)amino]-2-phenyl-2-(prop-2-ynamido)-3-(thiophen-2-yl)propanoate
Other name (1)：
  • (2S,3R)-2-Phenyl-2-(propinoylamino)-3-(2-thienyl)-3-(2-hydroxyanilino)propanoic acid methyl ester
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