1-[6-azanyl-2-[(1-ethoxy-1-oxidanylidene-3-phenylsulfanyl-propan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[6-azanyl-2-[(1-ethoxy-1-oxidanylidene-3-phenylsulfanyl-propan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-amino-2-[[2-ethoxy-2-oxo-1-(phenylsulfanylmethyl)ethyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-amino-2-[[1-ethoxy-1-oxo-3-(phenylthio)propan-2-yl]amino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[6-amino-2-[(1-ethoxy-1-oxo-3-phenylsulfanylpropan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-amino-2-[[2-ethoxy-2-keto-1-[(phenylthio)methyl]ethyl]amino]hexanoyl]proline Formula: C22H33N3O5S MolecularWeight: 451.57952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC1=CC=CC=C1)NC(CCCCN)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CCOC(=O)C(CSC1=CC=CC=C1)NC(CCCCN)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C22H33N3O5S/c1-2-30-22(29)18(15-31-16-9-4-3-5-10-16)24-17(11-6-7-13-23)20(26)25-14-8-12-19(25)21(27)28/h3-5,9-10,17-19,24H,2,6-8,11-15,23H2,1H3,(H,27,28)