Chem
J-GLOBAL ID:200907025889873925   Nikkaji number:J1.314.302A

3-[(3R)-3-[(2-Phenylcyclohexyloxy)carbonyl]-3-(2-methoxy-3-bromophenyl)-2-oxo-2,3-dihydrobenzofuran-5-yl]-N-(2,2,2-trichloroethoxycarbonyl)alanine methyl ester

3-[(3R)-3-[(2-フェニルシクロヘキシルオキシ)カルボニル]-3-(2-メトキシ-3-ブロモフェニル)-2-オキソ-2,3-ジヒドロベンゾフラン-5-イル]-N-(2,2,2-トリクロロエトキシカルボニル)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: C35H33BrCl3NO9
Molecular formula furigana: C35-H33-BR-CL3-N-O9
Molecular weight: 797.900
InChI: InChI=1S/C35H33BrCl3NO9/c1-45-29-23(12-8-13-25(29)36)35(31(42)48-27-14-7-6-11-22(27)21-9-4-3-5-10-21)24-17-20(15-16-28(24)49-32(35)43)18-26(30(41)46-2)40-33(44)47-19-34(37,38)39/h3-5,8-10,12-13,15-17,22,26-27H,6-7,11,14,18-19H2,1-2H3,(H,40,44)/t22?,26-,27?,35-/m0/s1
InChI key: LBUAYAOGHAWHNH-CRKGPLOTSA-N
SMILES: COC(=O)[C@H](Cc1ccc2OC(=O)[C@](C(=O)OC3CCCCC3c3ccccc3)(c2c1)c1cccc(Br)c1OC)NC(=O)OCC(Cl)(Cl)Cl
Systematic name  (3):
  • 3-[(3R)-3-[(2-フェニルシクロヘキシルオキシ)カルボニル]-3-(2-メトキシ-3-ブロモフェニル)-2-オキソ-2,3-ジヒドロベンゾフラン-5-イル]-N-(2,2,2-トリクロロエトキシカルボニル)アラニンメチル
  • 2-フェニルシクロヘキシル (3R)-3-(3-ブロモ-2-メトキシフェニル)-5-[(2S)-3-メトキシ-3-オキソ-2-{[(2,2,2-トリクロロエトキシ)カルボニル]アミノ}プロピル]-2-オキソ-2,3-ジヒドロ-1-ベンゾフラン-3-カルボキシラート
  • 2-phenylcyclohexyl (3R)-3-(3-bromo-2-methoxyphenyl)-5-[(2S)-3-methoxy-3-oxo-2-{[(2,2,2-trichloroethoxy)carbonyl]amino}propyl]-2-oxo-2,3-dihydro-1-benzofuran-3-carboxylate
Other name (1):
  • 3-[(3R)-3-[(2-Phenylcyclohexyloxy)carbonyl]-3-(2-methoxy-3-bromophenyl)-2-oxo-2,3-dihydrobenzofuran-5-yl]-N-(2,2,2-trichloroethoxycarbonyl)alanine methyl ester
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