Chem
J-GLOBAL ID:200907049871791570   Nikkaji number:J1.001.624J

2-[[(1S,2S,3S,4R)-3-[4-(Pentylcarbamoyl)oxazole-2-yl]-7-oxabicyclo[2.2.1]heptane-2-yl]methyl]benzenepropanoic acid

2-[[(1S,2S,3S,4R)-3-[4-(ペンチルカルバモイル)オキサゾール-2-イル]-7-オキサビシクロ[2.2.1]ヘプタン-2-イル]メチル]ベンゼンプロパン酸
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: C25H32N2O5
Molecular formula furigana: C25-H32-N2-O5
Molecular weight: 440.540
InChI: InChI=1S/C25H32N2O5/c1-2-3-6-13-26-24(30)19-15-31-25(27-19)23-18(20-10-11-21(23)32-20)14-17-8-5-4-7-16(17)9-12-22(28)29/h4-5,7-8,15,18,20-21,23H,2-3,6,9-14H2,1H3,(H,26,30)(H,28,29)/t18-,20+,21-,23+/m1/s1
InChI key: BBPRUNPUJIUXSE-RJSMDTJLSA-N
SMILES: CCCCCNC(=O)c1coc(n1)[C@@H]1[C@H]2CC[C@H](O2)[C@H]1Cc1ccccc1CCC(=O)O
Systematic name  (3):
  • 2-[[(1S,2S,3S,4R)-3-[4-(ペンチルカルバモイル)オキサゾール-2-イル]-7-オキサビシクロ[2.2.1]ヘプタン-2-イル]メチル]ベンゼンプロパン酸
  • 3-(2-{[(1S,2S,3S,4R)-3-[4-(ペンチルカルバモイル)-1,3-オキサゾール-2-イル]-7-オキサビシクロ[2.2.1]ヘプタン-2-イル]メチル}フェニル)プロパン酸
  • 3-(2-{[(1S,2S,3S,4R)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl}phenyl)propanoic acid
Other name (1):
  • 2-[[(1S,2S,3S,4R)-3-[4-(Pentylcarbamoyl)oxazole-2-yl]-7-oxabicyclo[2.2.1]heptane-2-yl]methyl]benzenepropanoic acid
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