tert-butyl 4-[[cyclopropyl(methylsulfonyl)methyl]-(4-morpholin-4-yl-4-oxidanylidene-butanoyl)amino]-3-oxidanyl-azepane-1-carboxylate

Systemtic Name: tert-butyl 4-[[cyclopropyl(methylsulfonyl)methyl]-(4-morpholin-4-yl-4-oxidanylidene-butanoyl)amino]-3-oxidanyl-azepane-1-carboxylate Openeye Name: tert-butyl 4-[[cyclopropyl(methylsulfonyl)methyl]-(4-morpholino-4-oxo-butanoyl)amino]-3-hydroxy-azepane-1-carboxylate CAS Name: 4-[[cyclopropyl(methylsulfonyl)methyl]-[4-(4-morpholinyl)-1,4-dioxobutyl]amino]-3-hydroxy-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[cyclopropyl(methylsulfonyl)methyl]-(4-morpholin-4-yl-4-oxobutanoyl)amino]-3-hydroxyazepane-1-carboxylate Traditional Name: 4-[[cyclopropyl(mesyl)methyl]-(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)N(C(C2CC2)S(=O)(=O)C)C(=O)CCC(=O)N3CCOCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C(C1)O)N(C(C2CC2)S(=O)(=O)C)C(=O)CCC(=O)N3CCOCC3

InChI

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