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

Systemtic Name: 2-(2-azanylpropanoyl)-1-[3-(2-cyclohexylsulfanylethylsulfanyl)-1-ethoxy-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxylic acid Openeye Name: 2-(2-aminopropanoyl)-1-[1-(2-cyclohexylsulfanylethylsulfanylmethyl)-2-ethoxy-2-oxo-ethyl]pyrrolidine-2-carboxylic acid CAS Name: 2-(2-amino-1-oxopropyl)-1-[3-[2-(cyclohexylthio)ethylthio]-1-ethoxy-1-oxopropan-2-yl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(2-aminopropanoyl)-1-[3-(2-cyclohexylsulfanylethylsulfanyl)-1-ethoxy-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid Traditional Name: 2-alanyl-1-[1-[[2-(cyclohexylthio)ethylthio]methyl]-2-ethoxy-2-keto-ethyl]proline Formula: C21H36N2O5S2 MolecularWeight: 460.65094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCCSC1CCCCC1)N2CCCC2(C(=O)C(C)N)C(=O)O

Isomeric SMILES

CCOC(=O)C(CSCCSC1CCCCC1)N2CCCC2(C(=O)C(C)N)C(=O)O

InChI

InChI=1S/C21H36N2O5S2/c1-3-28-19(25)17(14-29-12-13-30-16-8-5-4-6-9-16)23-11-7-10-21(23,20(26)27)18(24)15(2)22/h15-17H,3-14,22H2,1-2H3,(H,26,27)