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

Systemtic Name: tert-butyl 4-[[2-(2-methylpropylsulfonylmethyl)-4-morpholin-4-yl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-azepane-1-carboxylate Openeye Name: tert-butyl 3-hydroxy-4-[[2-(isobutylsulfonylmethyl)-4-morpholino-4-oxo-butanoyl]amino]azepane-1-carboxylate CAS Name: 3-hydroxy-4-[[2-(2-methylpropylsulfonylmethyl)-4-(4-morpholinyl)-1,4-dioxobutyl]amino]-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-hydroxy-4-[[2-(2-methylpropylsulfonylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]azepane-1-carboxylate Traditional Name: 3-hydroxy-4-[[2-(isobutylsulfonylmethyl)-4-keto-4-morpholino-butanoyl]amino]azepane-1-carboxylic acid tert-butyl ester Formula: C24H43N3O8S MolecularWeight: 533.67852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)CC(CC(=O)N1CCOCC1)C(=O)NC2CCCN(CC2O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CS(=O)(=O)CC(CC(=O)N1CCOCC1)C(=O)NC2CCCN(CC2O)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H43N3O8S/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/h17-20,28H,6-16H2,1-5H3,(H,25,30)