Chem
J-GLOBAL ID：200907000588486621   Nikkaji number：J1.537.411J

2-[4-[2-[1-[2-(4-Biphenylyl)ethyl]-3-(4-isopropylphenyl)ureido]ethyl]phenylthio]isobutyric acid

2-[4-[2-[1-[2-(4-ビフェニリル)エチル]-3-(4-イソプロピルフェニル)ウレイド]エチル]フェニルチオ]イソ酪酸
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： C36H40N2O3S
Molecular formula furigana： C36-H40-N2-O3-S
Molecular weight： 580.790
InChI： InChI=1S/C36H40N2O3S/c1-26(2)29-16-18-32(19-17-29)37-35(41)38(24-22-27-10-14-31(15-11-27)30-8-6-5-7-9-30)25-23-28-12-20-33(21-13-28)42-36(3,4)34(39)40/h5-21,26H,22-25H2,1-4H3,(H,37,41)(H,39,40)
InChI key： CMFMDHVGTDZSEU-UHFFFAOYSA-N
SMILES： CC(C)c1ccc(NC(=O)N(CCc2ccc(SC(C)(C)C(=O)O)cc2)CCc2ccc(cc2)c2ccccc2)cc1
Systematic name  (3)：
  • 2-[4-[2-[1-[2-(4-ビフェニリル)エチル]-3-(4-イソプロピルフェニル)ウレイド]エチル]フェニルチオ]イソ酪酸
  • 2-[(4-{2-[(2-{[1,1'-ビフェニル]-4-イル}エチル)({[4-(プロパン-2-イル)フェニル]カルバモイル})アミノ]エチル}フェニル)スルファニル]-2-メチルプロパン酸
  • 2-[(4-{2-[(2-{[1,1'-biphenyl]-4-yl}ethyl)({[4-(propan-2-yl)phenyl]carbamoyl})amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid
Other name (1)：
  • 2-[4-[2-[1-[2-(4-Biphenylyl)ethyl]-3-(4-isopropylphenyl)ureido]ethyl]phenylthio]isobutyric acid
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