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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)OCC)SCC(C(=O)OCC)NC(C)C(=O)N1CCCC1C(=O)O

Isomeric SMILES

CCCCCC(C(=O)OCC)SCC(C(=O)OCC)NC(C)C(=O)N1CCCC1C(=O)O

InChI

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