(2S,4S)-4-(furan-3-ylmethyl)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S)-4-(furan-3-ylmethyl)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-4-(3-furylmethyl)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-4-(3-furanylmethyl)-1-(3-mercapto-2-methyl-1-oxopropyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-4-(furan-3-ylmethyl)-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-4-(3-furfuryl)-1-(3-mercapto-2-methyl-propanoyl)proline Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)CC2=COC=C2

Isomeric SMILES

CC(CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)CC2=COC=C2

InChI

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