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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C(C1)O)NC(=O)C(CC(=O)N2CCOCC2)CS(=O)(=O)CC3CC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C(C1)O)NC(=O)C(CC(=O)N2CCOCC2)CS(=O)(=O)CC3CC3

InChI

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