2-(2-azanylpropanoyl)-1-(1-ethoxy-3-heptylsulfanyl-1-oxidanylidene-propan-2-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: 2-(2-azanylpropanoyl)-1-(1-ethoxy-3-heptylsulfanyl-1-oxidanylidene-propan-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 2-(2-aminopropanoyl)-1-[2-ethoxy-1-(heptylsulfanylmethyl)-2-oxo-ethyl]pyrrolidine-2-carboxylic acid CAS Name: 2-(2-amino-1-oxopropyl)-1-[1-ethoxy-3-(heptylthio)-1-oxopropan-2-yl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(2-aminopropanoyl)-1-(1-ethoxy-3-heptylsulfanyl-1-oxopropan-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 2-alanyl-1-[2-ethoxy-1-[(heptylthio)methyl]-2-keto-ethyl]proline Formula: C20H36N2O5S MolecularWeight: 416.57524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H36N2O5S/c1-4-6-7-8-9-13-28-14-16(18(24)27-5-2)22-12-10-11-20(22,19(25)26)17(23)15(3)21/h15-16H,4-14,21H2,1-3H3,(H,25,26)