2-(2-azanylpropanoyl)-1-[1-ethoxy-3-(1-ethoxy-1-oxidanylidene-heptan-2-yl)sulfanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxylic acid

Systemtic Name: 2-(2-azanylpropanoyl)-1-[1-ethoxy-3-(1-ethoxy-1-oxidanylidene-heptan-2-yl)sulfanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxylic acid Openeye Name: 2-(2-aminopropanoyl)-1-[2-ethoxy-1-(1-ethoxycarbonylhexylsulfanylmethyl)-2-oxo-ethyl]pyrrolidine-2-carboxylic acid CAS Name: 2-(2-amino-1-oxopropyl)-1-[1-ethoxy-3-[(1-ethoxy-1-oxoheptan-2-yl)thio]-1-oxopropan-2-yl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(2-aminopropanoyl)-1-[1-ethoxy-3-(1-ethoxy-1-oxoheptan-2-yl)sulfanyl-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid Traditional Name: 2-alanyl-1-[1-[(1-carbethoxyhexylthio)methyl]-2-ethoxy-2-keto-ethyl]proline Formula: C22H38N2O7S MolecularWeight: 474.61132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)OCC)SCC(C(=O)OCC)N1CCCC1(C(=O)C(C)N)C(=O)O

Isomeric SMILES

CCCCCC(C(=O)OCC)SCC(C(=O)OCC)N1CCCC1(C(=O)C(C)N)C(=O)O

InChI

InChI=1S/C22H38N2O7S/c1-5-8-9-11-17(20(27)31-7-3)32-14-16(19(26)30-6-2)24-13-10-12-22(24,21(28)29)18(25)15(4)23/h15-17H,5-14,23H2,1-4H3,(H,28,29)