Chem
J-GLOBAL ID：200907035461553468   Nikkaji number：J557.275D

3-[[(1R,2E,4E)-1-[(S)-Hydroxy[3-(1H-tetrazol-5-yl)phenyl]methyl]-2,4-tetradecadienyl]thio]propionic acid

3-[[(1R,2E,4E)-1-[(S)-α-ヒドロキシ-3-(1H-テトラゾール-5-イル)ベンジル]-2,4-テトラデカジエニル]チオ]プロピオン酸
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： C25H36N4O3S
Molecular formula furigana： C25-H36-N4-O3-S
Molecular weight： 472.650
InChI： InChI=1S/C25H36N4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16-22(33-18-17-23(30)31)24(32)20-14-13-15-21(19-20)25-26-28-29-27-25/h10-16,19,22,24,32H,2-9,17-18H2,1H3,(H,30,31)(H,26,27,28,29)/b11-10+,16-12+/t22-,24+/m1/s1
InChI key： YPHOSUPSOWQQCB-CQPBLMGQSA-N
SMILES： CCCCCCCCC/C=C/C=C/[C@@H](SCCC(=O)O)[C@@H](O)c1cccc(c1)c1nnn[nH]1
Systematic name  (4)：
  • 3-[[(1R,2E,4E)-1-[(S)-α-ヒドロキシ-3-(1H-テトラゾール-5-イル)ベンジル]-2,4-テトラデカジエニル]チオ]プロピオン酸
  • 3-[[(1R,2E,4E)-1-[(S)-ヒドロキシ[3-(1H-テトラゾール-5-イル)フェニル]メチル]-2,4-テトラデカジエニル]チオ]プロピオン酸
  • 3-{[(1S,2R,3E,5E)-1-ヒドロキシ-1-[3-(1H-1,2,3,4-テトラゾール-5-イル)フェニル]ペンタデカ-3,5-ジエン-2-イル]スルファニル}プロパン酸
  • 3-{[(1S,2R,3E,5E)-1-hydroxy-1-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]pentadeca-3,5-dien-2-yl]sulfanyl}propanoic acid
Other name (1)：
  • 3-[[(1R,2E,4E)-1-[(S)-Hydroxy[3-(1H-tetrazol-5-yl)phenyl]methyl]-2,4-tetradecadienyl]thio]propionic acid
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