1-(3-ethanoylsulfanylbutanoyl)-4-pent-4-ynylsulfanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(3-ethanoylsulfanylbutanoyl)-4-pent-4-ynylsulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-acetylsulfanylbutanoyl)-4-pent-4-ynylsulfanyl-pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-1-oxobutyl]-4-(pent-4-ynylthio)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-acetylsulfanylbutanoyl)-4-pent-4-ynylsulfanylpyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)butanoyl]-4-(pent-4-ynylthio)proline Formula: C16H23NO4S2 MolecularWeight: 357.48812

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CC(CC1C(=O)O)SCCCC#C)SC(=O)C

Isomeric SMILES

CC(CC(=O)N1CC(CC1C(=O)O)SCCCC#C)SC(=O)C

InChI

InChI=1S/C16H23NO4S2/c1-4-5-6-7-22-13-9-14(16(20)21)17(10-13)15(19)8-11(2)23-12(3)18/h1,11,13-14H,5-10H2,2-3H3,(H,20,21)