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

Systemtic Name: (2S,4R)-1-(2-methyl-3-sulfanyl-propanoyl)-4-phenyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-1-(2-methyl-3-sulfanyl-propanoyl)-4-phenyl-pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-1-(3-mercapto-2-methyl-1-oxopropyl)-4-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-1-(2-methyl-3-sulfanylpropanoyl)-4-phenylpyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-1-(3-mercapto-2-methyl-propanoyl)-4-phenyl-proline Formula: C15H19NO3S MolecularWeight: 293.38126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO3S/c1-10(9-20)14(17)16-8-12(7-13(16)15(18)19)11-5-3-2-4-6-11/h2-6,10,12-13,20H,7-9H2,1H3,(H,18,19)/t10?,12-,13-/m0/s1