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

Systemtic Name: 2-(2-azanylpropanoyl)-1-[1-ethoxy-1-oxidanylidene-3-(2-phenylsulfanylethylsulfanyl)propan-2-yl]pyrrolidine-2-carboxylic acid Openeye Name: 2-(2-aminopropanoyl)-1-[2-ethoxy-2-oxo-1-(2-phenylsulfanylethylsulfanylmethyl)ethyl]pyrrolidine-2-carboxylic acid CAS Name: 2-(2-amino-1-oxopropyl)-1-[1-ethoxy-1-oxo-3-[2-(phenylthio)ethylthio]propan-2-yl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(2-aminopropanoyl)-1-[1-ethoxy-1-oxo-3-(2-phenylsulfanylethylsulfanyl)propan-2-yl]pyrrolidine-2-carboxylic acid Traditional Name: 2-alanyl-1-[2-ethoxy-2-keto-1-[[2-(phenylthio)ethylthio]methyl]ethyl]proline Formula: C21H30N2O5S2 MolecularWeight: 454.6033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCCSC1=CC=CC=C1)N2CCCC2(C(=O)C(C)N)C(=O)O

Isomeric SMILES

CCOC(=O)C(CSCCSC1=CC=CC=C1)N2CCCC2(C(=O)C(C)N)C(=O)O

InChI

InChI=1S/C21H30N2O5S2/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/h4-6,8-9,15,17H,3,7,10-14,22H2,1-2H3,(H,26,27)