Chem
J-GLOBAL ID：200907076583754179   Nikkaji number：J2.625.694A

1-[[[(R)-3-[2-(1-Hydroxy-1-methylethyl)phenyl]-1-[3-[2-(7-chloroquinoline-2-yl)ethenyl]phenyl]propyl]thio]methyl]cyclopropane-1-acetic acid

1-[[[(R)-3-[2-(1-ヒドロキシ-1-メチルエチル)フェニル]-1-[3-[2-(7-クロロキノリン-2-イル)エテニル]フェニル]プロピル]チオ]メチル]シクロプロパン-1-酢酸
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： C35H36ClNO3S
Molecular formula furigana： C35-H36-CL-N-O3-S
Molecular weight： 586.190
InChI： InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/t32-/m1/s1
InChI key： UCHDWCPVSPXUMX-JGCGQSQUSA-N
SMILES： CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1
Systematic name  (3)：
  • 1-[[[(R)-3-[2-(1-ヒドロキシ-1-メチルエチル)フェニル]-1-[3-[2-(7-クロロキノリン-2-イル)エテニル]フェニル]プロピル]チオ]メチル]シクロプロパン-1-酢酸
  • 2-[1-({[(1R)-1-{3-[2-(7-クロロキノリン-2-イル)エテニル]フェニル}-3-[2-(2-ヒドロキシプロパン-2-イル)フェニル]プロピル]スルファニル}メチル)シクロプロピル]酢酸
  • 2-[1-({[(1R)-1-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanyl}methyl)cyclopropyl]acetic acid
Other name (1)：
  • 1-[[[(R)-3-[2-(1-Hydroxy-1-methylethyl)phenyl]-1-[3-[2-(7-chloroquinoline-2-yl)ethenyl]phenyl]propyl]thio]methyl]cyclopropane-1-acetic acid
Thsaurus map：
Thesaurus Map

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