2-(2-azanylpropanoyl)-1-[1-oxidanyl-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]pyrrolidine-2-carboxylic acid

Systemtic Name: 2-(2-azanylpropanoyl)-1-[1-oxidanyl-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]pyrrolidine-2-carboxylic acid Openeye Name: 2-(2-aminopropanoyl)-1-[1-(benzylsulfanylmethyl)-2-hydroxy-2-oxo-ethyl]pyrrolidine-2-carboxylic acid CAS Name: 2-(2-amino-1-oxopropyl)-1-[1-hydroxy-1-oxo-3-(phenylmethylthio)propan-2-yl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(2-aminopropanoyl)-1-(3-benzylsulfanyl-1-hydroxy-1-oxopropan-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 2-alanyl-1-[1-[(benzylthio)methyl]-2-hydroxy-2-keto-ethyl]proline Formula: C18H24N2O5S MolecularWeight: 380.45856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1(CCCN1C(CSCC2=CC=CC=C2)C(=O)O)C(=O)O)N

Isomeric SMILES

CC(C(=O)C1(CCCN1C(CSCC2=CC=CC=C2)C(=O)O)C(=O)O)N

InChI

InChI=1S/C18H24N2O5S/c1-12(19)15(21)18(17(24)25)8-5-9-20(18)14(16(22)23)11-26-10-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11,19H2,1H3,(H,22,23)(H,24,25)