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

Systemtic Name: 2-(2-azanylpropanoyl)-1-[1-ethoxy-3-(1-ethoxy-1-oxidanylidene-octan-2-yl)sulfanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxylic acid Openeye Name: 2-(2-aminopropanoyl)-1-[2-ethoxy-1-(1-ethoxycarbonylheptylsulfanylmethyl)-2-oxo-ethyl]pyrrolidine-2-carboxylic acid CAS Name: 2-(2-amino-1-oxopropyl)-1-[1-ethoxy-3-[(1-ethoxy-1-oxooctan-2-yl)thio]-1-oxopropan-2-yl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(2-aminopropanoyl)-1-[1-ethoxy-3-(1-ethoxy-1-oxooctan-2-yl)sulfanyl-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid Traditional Name: 2-alanyl-1-[1-[(1-carbethoxyheptylthio)methyl]-2-ethoxy-2-keto-ethyl]proline Formula: C23H40N2O7S MolecularWeight: 488.6379

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OCC)SCC(C(=O)OCC)N1CCCC1(C(=O)C(C)N)C(=O)O

Isomeric SMILES

CCCCCCC(C(=O)OCC)SCC(C(=O)OCC)N1CCCC1(C(=O)C(C)N)C(=O)O

InChI

InChI=1S/C23H40N2O7S/c1-5-8-9-10-12-18(21(28)32-7-3)33-15-17(20(27)31-6-2)25-14-11-13-23(25,22(29)30)19(26)16(4)24/h16-18H,5-15,24H2,1-4H3,(H,29,30)