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

Systemtic Name: 2-(2-azanylpropanoyl)-1-[3-(2-cyclopentylsulfanylethylsulfanyl)-1-ethoxy-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxylic acid Openeye Name: 2-(2-aminopropanoyl)-1-[1-(2-cyclopentylsulfanylethylsulfanylmethyl)-2-ethoxy-2-oxo-ethyl]pyrrolidine-2-carboxylic acid CAS Name: 2-(2-amino-1-oxopropyl)-1-[3-[2-(cyclopentylthio)ethylthio]-1-ethoxy-1-oxopropan-2-yl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(2-aminopropanoyl)-1-[3-(2-cyclopentylsulfanylethylsulfanyl)-1-ethoxy-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid Traditional Name: 2-alanyl-1-[1-[[2-(cyclopentylthio)ethylthio]methyl]-2-ethoxy-2-keto-ethyl]proline Formula: C20H34N2O5S2 MolecularWeight: 446.62436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCCSC1CCCC1)N2CCCC2(C(=O)C(C)N)C(=O)O

Isomeric SMILES

CCOC(=O)C(CSCCSC1CCCC1)N2CCCC2(C(=O)C(C)N)C(=O)O

InChI

InChI=1S/C20H34N2O5S2/c1-3-27-18(24)16(13-28-11-12-29-15-7-4-5-8-15)22-10-6-9-20(22,19(25)26)17(23)14(2)21/h14-16H,3-13,21H2,1-2H3,(H,25,26)