tert-butyl 2-[[3-(cyclohexylmethylsulfanyl)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[3-(cyclohexylmethylsulfanyl)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[1-(cyclohexylmethylsulfanylmethyl)-2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[3-(cyclohexylmethylthio)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[3-(cyclohexylmethylsulfanyl)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[1-[(cyclohexylmethylthio)methyl]-2-keto-2-(p-anisylamino)ethyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C28H43N3O5S MolecularWeight: 533.72312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NC(CSCC2CCCCC2)C(=O)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)NC(CSCC2CCCCC2)C(=O)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C28H43N3O5S/c1-28(2,3)36-27(34)31-16-8-11-24(31)26(33)30-23(19-37-18-21-9-6-5-7-10-21)25(32)29-17-20-12-14-22(35-4)15-13-20/h12-15,21,23-24H,5-11,16-19H2,1-4H3,(H,29,32)(H,30,33)