Chem
J-GLOBAL ID：201707003321684310   Nikkaji number：J3.621.795B

ONO-AE5-599

3-[2-(1-{[(1R)-1-(3,5-ジメチルフェニル)-3-メチルブチル]アミノ}エテニル)-4-[(2-メチルフェノキシ)メチル]フェニル]プロパン酸
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： C32H39NO3
Molecular formula furigana： C32-H39-N-O3
Molecular weight： 485.668
InChI： InChI=1S/C32H39NO3/c1-21(2)15-30(28-17-22(3)16-23(4)18-28)33-25(6)29-19-26(11-12-27(29)13-14-32(34)35)20-36-31-10-8-7-9-24(31)5/h7-12,16-19,21,30,33H,6,13-15,20H2,1-5H3,(H,34,35)/t30-/m1/s1
InChI key： MIHNFQDPLQJFEZ-SSEXGKCCSA-N
SMILES： CC(C)C[C@@H](NC(=C)c1cc(COc2ccccc2C)ccc1CCC(=O)O)c1cc(C)cc(C)c1
Systematic name  (3)：
  • 3-[2-[1-[[(1R)-1-(3,5-ジメチルフェニル)-3-メチルブチル]アミノ]エテニル]-4-[(2-メチルフェノキシ)メチル]フェニル]プロパン酸
  • 3-[2-(1-{[(1R)-1-(3,5-ジメチルフェニル)-3-メチルブチル]アミノ}エテニル)-4-[(2-メチルフェノキシ)メチル]フェニル]プロパン酸
  • 3-[2-(1-{[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]amino}ethenyl)-4-[(2-methylphenoxy)methyl]phenyl]propanoic acid
Other name (2)：
  • 3-[2-[1-[[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]amino]ethenyl]-4-[(2-methylphenoxy)methyl]phenyl]propanoic acid
  • ONO-AE5-599
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