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

Systemtic Name: 2-(2-azanylpropanoyl)-1-[3-(2-butoxyethylsulfanyl)-1-ethoxy-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxylic acid Openeye Name: 2-(2-aminopropanoyl)-1-[1-(2-butoxyethylsulfanylmethyl)-2-ethoxy-2-oxo-ethyl]pyrrolidine-2-carboxylic acid CAS Name: 2-(2-amino-1-oxopropyl)-1-[3-(2-butoxyethylthio)-1-ethoxy-1-oxopropan-2-yl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(2-aminopropanoyl)-1-[3-(2-butoxyethylsulfanyl)-1-ethoxy-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid Traditional Name: 2-alanyl-1-[1-[(2-butoxyethylthio)methyl]-2-ethoxy-2-keto-ethyl]proline Formula: C19H34N2O6S MolecularWeight: 418.54806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCSCC(C(=O)OCC)N1CCCC1(C(=O)C(C)N)C(=O)O

Isomeric SMILES

CCCCOCCSCC(C(=O)OCC)N1CCCC1(C(=O)C(C)N)C(=O)O

InChI

InChI=1S/C19H34N2O6S/c1-4-6-10-26-11-12-28-13-15(17(23)27-5-2)21-9-7-8-19(21,18(24)25)16(22)14(3)20/h14-15H,4-13,20H2,1-3H3,(H,24,25)