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

Systemtic Name: tert-butyl 4-[[4-morpholin-4-yl-4-oxidanylidene-2-[(phenylmethyl)sulfonylmethyl]butanoyl]amino]-3-oxidanyl-azepane-1-carboxylate Openeye Name: tert-butyl 4-[[2-(benzylsulfonylmethyl)-4-morpholino-4-oxo-butanoyl]amino]-3-hydroxy-azepane-1-carboxylate CAS Name: 3-hydroxy-4-[[4-(4-morpholinyl)-1,4-dioxo-2-[(phenylmethyl)sulfonylmethyl]butyl]amino]-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-(benzylsulfonylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-3-hydroxyazepane-1-carboxylate Traditional Name: 4-[[2-(benzylsulfonylmethyl)-4-keto-4-morpholino-butanoyl]amino]-3-hydroxy-azepane-1-carboxylic acid tert-butyl ester Formula: C27H41N3O8S MolecularWeight: 567.69474

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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)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C(C1)O)NC(=O)C(CC(=O)N2CCOCC2)CS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C27H41N3O8S/c1-27(2,3)38-26(34)30-11-7-10-22(23(31)17-30)28-25(33)21(16-24(32)29-12-14-37-15-13-29)19-39(35,36)18-20-8-5-4-6-9-20/h4-6,8-9,21-23,31H,7,10-19H2,1-3H3,(H,28,33)