Chem
J-GLOBAL ID:200907051214317234   Nikkaji number:J1.838.906A

(2S,3E)-2-[Propargyl[(S)-α-methylbenzyl]amino]-4-phenyl-3-butenoic acid benzyl ester

(2S,3E)-2-[プロパルギル[(S)-α-メチルベンジル]アミノ]-4-フェニル-3-ブテン酸ベンジル
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: C28H27NO2
Molecular formula furigana: C28-H27-N-O2
Molecular weight: 409.529
InChI: InChI=1S/C28H27NO2/c1-3-21-29(23(2)26-17-11-6-12-18-26)27(20-19-24-13-7-4-8-14-24)28(30)31-22-25-15-9-5-10-16-25/h1,4-20,23,27H,21-22H2,2H3/b20-19+/t23-,27-/m0/s1
InChI key: CAZQIBZILBPHGC-UNQWYTDLSA-N
SMILES: C[C@H](N(CC#C)[C@@H](/C=C/c1ccccc1)C(=O)OCc1ccccc1)c1ccccc1
Systematic name  (3):
  • (2S,3E)-2-[プロパルギル[(S)-α-メチルベンジル]アミノ]-4-フェニル-3-ブテン酸ベンジル
  • ベンジル (2S,3E)-4-フェニル-2-{[(1S)-1-フェニルエチル](プロパ-2-イン-1-イル)アミノ}ブタ-3-エノアート
  • benzyl (2S,3E)-4-phenyl-2-{[(1S)-1-phenylethyl](prop-2-yn-1-yl)amino}but-3-enoate
Other name (1):
  • (2S,3E)-2-[Propargyl[(S)-α-methylbenzyl]amino]-4-phenyl-3-butenoic acid benzyl ester
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