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

Systemtic Name: 1-[2-[[1-ethoxy-3-(heptyldisulfanyl)-1-oxidanylidene-propan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[2-ethoxy-1-[(heptyldisulfanyl)methyl]-2-oxo-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[1-ethoxy-3-(heptyldisulfanyl)-1-oxopropan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[1-ethoxy-3-(heptyldisulfanyl)-1-oxopropan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[2-ethoxy-1-[(heptyldisulfanyl)methyl]-2-keto-ethyl]amino]propanoyl]proline Formula: C20H36N2O5S2 MolecularWeight: 448.64024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSSCC(C(=O)OCC)NC(C)C(=O)N1CCCC1C(=O)O

Isomeric SMILES

CCCCCCCSSCC(C(=O)OCC)NC(C)C(=O)N1CCCC1C(=O)O

InChI

InChI=1S/C20H36N2O5S2/c1-4-6-7-8-9-13-28-29-14-16(20(26)27-5-2)21-15(3)18(23)22-12-10-11-17(22)19(24)25/h15-17,21H,4-14H2,1-3H3,(H,24,25)