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

Systemtic Name: 2-(2-azanylpropanoyl)-1-(1-ethoxy-3-octylsulfanyl-1-oxidanylidene-propan-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 2-(2-aminopropanoyl)-1-[2-ethoxy-1-(octylsulfanylmethyl)-2-oxo-ethyl]pyrrolidine-2-carboxylic acid CAS Name: 2-(2-amino-1-oxopropyl)-1-[1-ethoxy-3-(octylthio)-1-oxopropan-2-yl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(2-aminopropanoyl)-1-(1-ethoxy-3-octylsulfanyl-1-oxopropan-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 2-alanyl-1-[2-ethoxy-2-keto-1-[(octylthio)methyl]ethyl]proline Formula: C21H38N2O5S MolecularWeight: 430.60182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38N2O5S/c1-4-6-7-8-9-10-14-29-15-17(19(25)28-5-2)23-13-11-12-21(23,20(26)27)18(24)16(3)22/h16-17H,4-15,22H2,1-3H3,(H,26,27)