(2S,4S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]-4-(phenylsulfinyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]-4-(phenylsulfinyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-4-(benzenesulfinyl)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-4-(benzenesulfinyl)-1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-4-(benzenesulfinyl)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-4-(benzenesulfinyl)-1-[(2S)-3-mercapto-2-methyl-propanoyl]proline Formula: C15H19NO4S2 MolecularWeight: 341.44566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO4S2/c1-10(9-21)14(17)16-8-12(7-13(16)15(18)19)22(20)11-5-3-2-4-6-11/h2-6,10,12-13,21H,7-9H2,1H3,(H,18,19)/t10-,12+,13+,22?/m1/s1