tert-butyl 4-[[2-(2-methylpropylsulfonylmethyl)-4-morpholin-4-yl-4-oxidanylidene-butanoyl]amino]-3-oxidanylidene-azepane-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-(2-methylpropylsulfonylmethyl)-4-morpholin-4-yl-4-oxidanylidene-butanoyl]amino]-3-oxidanylidene-azepane-1-carboxylate Openeye Name: tert-butyl 4-[[2-(isobutylsulfonylmethyl)-4-morpholino-4-oxo-butanoyl]amino]-3-oxo-azepane-1-carboxylate CAS Name: 4-[[2-(2-methylpropylsulfonylmethyl)-4-(4-morpholinyl)-1,4-dioxobutyl]amino]-3-oxo-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-(2-methylpropylsulfonylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-3-oxoazepane-1-carboxylate Traditional Name: 4-[[2-(isobutylsulfonylmethyl)-4-keto-4-morpholino-butanoyl]amino]-3-keto-azepane-1-carboxylic acid tert-butyl ester Formula: C24H41N3O8S MolecularWeight: 531.66264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)CC(CC(=O)N1CCOCC1)C(=O)NC2CCCN(CC2=O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CS(=O)(=O)CC(CC(=O)N1CCOCC1)C(=O)NC2CCCN(CC2=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H41N3O8S/c1-17(2)15-36(32,33)16-18(13-21(29)26-9-11-34-12-10-26)22(30)25-19-7-6-8-27(14-20(19)28)23(31)35-24(3,4)5/h17-19H,6-16H2,1-5H3,(H,25,30)