3-[2-[2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]pyrrolidin-1-yl]ethylsulfanyl]propanoic acid

Systemtic Name: 3-[2-[2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]pyrrolidin-1-yl]ethylsulfanyl]propanoic acid Openeye Name: 3-[2-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxo-pyrrolidin-1-yl]ethylsulfanyl]propanoic acid CAS Name: 3-[2-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxo-1-pyrrolidinyl]ethylthio]propanoic acid IUPAC Name: 3-[2-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]propanoic acid Traditional Name: 3-[2-[2-[(E)-3-hydroxyoct-1-enyl]-5-keto-pyrrolidino]ethylthio]propionic acid Formula: C17H29NO4S MolecularWeight: 343.48146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1CCC(=O)N1CCSCCC(=O)O)O

Isomeric SMILES

CCCCCC(/C=C/C1CCC(=O)N1CCSCCC(=O)O)O

InChI

InChI=1S/C17H29NO4S/c1-2-3-4-5-15(19)8-6-14-7-9-16(20)18(14)11-13-23-12-10-17(21)22/h6,8,14-15,19H,2-5,7,9-13H2,1H3,(H,21,22)/b8-6+