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

Systemtic Name: (2S,4S)-4-(furan-2-yl)-1-(2-methyl-4-sulfanyl-butanoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-4-(2-furyl)-1-(2-methyl-4-sulfanyl-butanoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-4-(2-furanyl)-1-(4-mercapto-2-methyl-1-oxobutyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-4-(furan-2-yl)-1-(2-methyl-4-sulfanylbutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-4-(2-furyl)-1-(4-mercapto-2-methyl-butanoyl)proline Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4S/c1-9(4-6-20)13(16)15-8-10(7-11(15)14(17)18)12-3-2-5-19-12/h2-3,5,9-11,20H,4,6-8H2,1H3,(H,17,18)/t9?,10-,11-/m0/s1