3-[3-[2-oxidanylidene-5-(3-oxidanyloct-1-ynyl)pyrrolidin-1-yl]propylsulfanyl]propanoic acid

Systemtic Name: 3-[3-[2-oxidanylidene-5-(3-oxidanyloct-1-ynyl)pyrrolidin-1-yl]propylsulfanyl]propanoic acid Openeye Name: 3-[3-[2-(3-hydroxyoct-1-ynyl)-5-oxo-pyrrolidin-1-yl]propylsulfanyl]propanoic acid CAS Name: 3-[3-[2-(3-hydroxyoct-1-ynyl)-5-oxo-1-pyrrolidinyl]propylthio]propanoic acid IUPAC Name: 3-[3-[2-(3-hydroxyoct-1-ynyl)-5-oxopyrrolidin-1-yl]propylsulfanyl]propanoic acid Traditional Name: 3-[3-[2-(3-hydroxyoct-1-ynyl)-5-keto-pyrrolidino]propylthio]propionic acid Formula: C18H29NO4S MolecularWeight: 355.49216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C#CC1CCC(=O)N1CCCSCCC(=O)O)O

Isomeric SMILES

CCCCCC(C#CC1CCC(=O)N1CCCSCCC(=O)O)O

InChI

InChI=1S/C18H29NO4S/c1-2-3-4-6-16(20)9-7-15-8-10-17(21)19(15)12-5-13-24-14-11-18(22)23/h15-16,20H,2-6,8,10-14H2,1H3,(H,22,23)