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

Systemtic Name: (2S,4R)-4-(furan-3-yl)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-4-(3-furyl)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-4-(3-furanyl)-1-(3-mercapto-2-methyl-1-oxopropyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-4-(furan-3-yl)-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-4-(3-furyl)-1-(3-mercapto-2-methyl-propanoyl)proline Formula: C13H17NO4S MolecularWeight: 283.34338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c1-8(7-19)12(15)14-5-10(4-11(14)13(16)17)9-2-3-18-6-9/h2-3,6,8,10-11,19H,4-5,7H2,1H3,(H,16,17)/t8?,10-,11-/m0/s1