(2S,4S)-1-(4-ethanoylsulfanyl-2-methyl-butanoyl)-4-(furan-2-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S)-1-(4-ethanoylsulfanyl-2-methyl-butanoyl)-4-(furan-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-1-(4-acetylsulfanyl-2-methyl-butanoyl)-4-(2-furyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-1-[4-(acetylthio)-2-methyl-1-oxobutyl]-4-(2-furanyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-1-(4-acetylsulfanyl-2-methylbutanoyl)-4-(furan-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-1-[4-(acetylthio)-2-methyl-butanoyl]-4-(2-furyl)proline Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCSC(=O)C)C(=O)N1CC(CC1C(=O)O)C2=CC=CO2

Isomeric SMILES

CC(CCSC(=O)C)C(=O)N1C[C@H](C[C@H]1C(=O)O)C2=CC=CO2

InChI

InChI=1S/C16H21NO5S/c1-10(5-7-23-11(2)18)15(19)17-9-12(8-13(17)16(20)21)14-4-3-6-22-14/h3-4,6,10,12-13H,5,7-9H2,1-2H3,(H,20,21)/t10?,12-,13-/m0/s1