(2S)-1-(2-methyl-3-sulfanyl-propanoyl)-4-oxidanyl-4-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-(2-methyl-3-sulfanyl-propanoyl)-4-oxidanyl-4-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-4-hydroxy-1-(2-methyl-3-sulfanyl-propanoyl)-4-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: (2S)-4-hydroxy-1-(3-mercapto-2-methyl-1-oxopropyl)-4-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-4-hydroxy-1-(2-methyl-3-sulfanylpropanoyl)-4-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: (2S)-4-hydroxy-1-(3-mercapto-2-methyl-propanoyl)-4-(2-thienyl)proline Formula: C13H17NO4S2 MolecularWeight: 315.40838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)(C2=CC=CS2)O

Isomeric SMILES

CC(CS)C(=O)N1CC(C[C@H]1C(=O)O)(C2=CC=CS2)O

InChI

InChI=1S/C13H17NO4S2/c1-8(6-19)11(15)14-7-13(18,5-9(14)12(16)17)10-3-2-4-20-10/h2-4,8-9,18-19H,5-7H2,1H3,(H,16,17)/t8?,9-,13?/m0/s1