Chem
J-GLOBAL ID：200907049907832685   Nikkaji number：J1.895.309I

BAY-58-2667

BAY-58-2667
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： C36H39NO5
Molecular formula furigana： C36-H39-N-O5
Molecular weight： 565.710
InChI： InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41)
InChI key： WPYWMXNXEZFMAK-UHFFFAOYSA-N
SMILES： OC(=O)CCCCN(CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)Cc1ccc(cc1)C(=O)O
Systematic name  (4)：
  • 5-[[2-[2-(4-フェネチルベンジルオキシ)フェニル]エチル](4-カルボキシベンジル)アミノ]ペンタン酸
  • 4-[[(4-カルボキシブチル)[2-[2-[[4-(2-フェニルエチル)ベンジル]オキシ]フェニル]エチル]アミノ]メチル]安息香酸
  • 4-{[(4-カルボキシブチル)[2-(2-{[4-(2-フェニルエチル)フェニル]メトキシ}フェニル)エチル]アミノ]メチル}安息香酸
  • 4-{[(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)phenyl]methoxy}phenyl)ethyl]amino]methyl}benzoic acid
Other name (6)：
  • 5-[[2-[2-(4-Phenethylbenzyloxy)phenyl]ethyl](4-carboxybenzyl)amino]pentanoic acid
  • BAY 58-2667
  • 4-[[(4-Carboxybutyl)[2-[2-[[4-(2-phenylethyl)benzyl]oxy]phenyl]ethyl]amino]methyl]benzoic acid
  • BAY-58-2667
  • シナシグアト
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CAS registry number： 329773-35-5
KEGG DRUG： D07577
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