2-(2-azanylpropanoyl)-1-[1-ethoxy-3-(1-ethoxy-1-oxidanylidene-nonan-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-nonan-2-yl)sulfanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxylic acid Openeye Name: 2-(2-aminopropanoyl)-1-[2-ethoxy-1-(1-ethoxycarbonyloctylsulfanylmethyl)-2-oxo-ethyl]pyrrolidine-2-carboxylic acid CAS Name: 2-(2-amino-1-oxopropyl)-1-[1-ethoxy-3-[(1-ethoxy-1-oxononan-2-yl)thio]-1-oxopropan-2-yl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(2-aminopropanoyl)-1-[1-ethoxy-3-(1-ethoxy-1-oxononan-2-yl)sulfanyl-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid Traditional Name: 2-alanyl-1-[1-[(1-carbethoxyoctylthio)methyl]-2-ethoxy-2-keto-ethyl]proline Formula: C24H42N2O7S MolecularWeight: 502.66448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H42N2O7S/c1-5-8-9-10-11-13-19(22(29)33-7-3)34-16-18(21(28)32-6-2)26-15-12-14-24(26,23(30)31)20(27)17(4)25/h17-19H,5-16,25H2,1-4H3,(H,30,31)