4-[2-[2-oxidanylidene-5-[(E)-3-oxidanyl-3-pentyl-oct-1-enyl]pyrrolidin-1-yl]ethylsulfanyl]butanoic acid

Systemtic Name: 4-[2-[2-oxidanylidene-5-[(E)-3-oxidanyl-3-pentyl-oct-1-enyl]pyrrolidin-1-yl]ethylsulfanyl]butanoic acid Openeye Name: 4-[2-[2-[(E)-3-hydroxy-3-pentyl-oct-1-enyl]-5-oxo-pyrrolidin-1-yl]ethylsulfanyl]butanoic acid CAS Name: 4-[2-[2-[(E)-3-hydroxy-3-pentyloct-1-enyl]-5-oxo-1-pyrrolidinyl]ethylthio]butanoic acid IUPAC Name: 4-[2-[2-[(E)-3-hydroxy-3-pentyloct-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]butanoic acid Traditional Name: 4-[2-[2-[(E)-3-amyl-3-hydroxy-oct-1-enyl]-5-keto-pyrrolidino]ethylthio]butyric acid Formula: C23H41NO4S MolecularWeight: 427.64094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCCC)(C=CC1CCC(=O)N1CCSCCCC(=O)O)O

Isomeric SMILES

CCCCCC(CCCCC)(/C=C/C1CCC(=O)N1CCSCCCC(=O)O)O

InChI

InChI=1S/C23H41NO4S/c1-3-5-7-14-23(28,15-8-6-4-2)16-13-20-11-12-21(25)24(20)17-19-29-18-9-10-22(26)27/h13,16,20,28H,3-12,14-15,17-19H2,1-2H3,(H,26,27)/b16-13+