tert-butyl 3-[[4-morpholin-4-yl-4-oxidanylidene-2-[(phenylmethyl)sulfonylmethyl]butanoyl]amino]-4-oxidanylidene-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[4-morpholin-4-yl-4-oxidanylidene-2-[(phenylmethyl)sulfonylmethyl]butanoyl]amino]-4-oxidanylidene-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[[2-(benzylsulfonylmethyl)-4-morpholino-4-oxo-butanoyl]amino]-4-oxo-pyrrolidine-1-carboxylate CAS Name: 3-[[4-(4-morpholinyl)-1,4-dioxo-2-[(phenylmethyl)sulfonylmethyl]butyl]amino]-4-oxo-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-(benzylsulfonylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-4-oxopyrrolidine-1-carboxylate Traditional Name: 3-[[2-(benzylsulfonylmethyl)-4-keto-4-morpholino-butanoyl]amino]-4-keto-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C25H35N3O8S MolecularWeight: 537.6257

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C(=O)C1)NC(=O)C(CC(=O)N2CCOCC2)CS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C(=O)C1)NC(=O)C(CC(=O)N2CCOCC2)CS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H35N3O8S/c1-25(2,3)36-24(32)28-14-20(21(29)15-28)26-23(31)19(13-22(30)27-9-11-35-12-10-27)17-37(33,34)16-18-7-5-4-6-8-18/h4-8,19-20H,9-17H2,1-3H3,(H,26,31)