methyl 1-(2-azanyl-2-cyclohexyl-ethanoyl)-4-(3-oxidanylpropylsulfanyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-(2-azanyl-2-cyclohexyl-ethanoyl)-4-(3-oxidanylpropylsulfanyl)pyrrolidine-2-carboxylate Openeye Name: methyl 1-(2-amino-2-cyclohexyl-acetyl)-4-(3-hydroxypropylsulfanyl)pyrrolidine-2-carboxylate CAS Name: 1-(2-amino-2-cyclohexyl-1-oxoethyl)-4-(3-hydroxypropylthio)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-amino-2-cyclohexylacetyl)-4-(3-hydroxypropylsulfanyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2-amino-2-cyclohexyl-acetyl)-4-(3-hydroxypropylthio)pyrrolidine-2-carboxylic acid methyl ester Formula: C17H30N2O4S MolecularWeight: 358.4961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1C(=O)C(C2CCCCC2)N)SCCCO

Isomeric SMILES

COC(=O)C1CC(CN1C(=O)C(C2CCCCC2)N)SCCCO

InChI

InChI=1S/C17H30N2O4S/c1-23-17(22)14-10-13(24-9-5-8-20)11-19(14)16(21)15(18)12-6-3-2-4-7-12/h12-15,20H,2-11,18H2,1H3