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

Systemtic Name: tert-butyl 4-[methyl-[4-morpholin-4-yl-4-oxidanylidene-2-(phenylmethyl)sulfonyl-butanoyl]amino]-3-oxidanylidene-azepane-1-carboxylate Openeye Name: tert-butyl 4-[(2-benzylsulfonyl-4-morpholino-4-oxo-butanoyl)-methyl-amino]-3-oxo-azepane-1-carboxylate CAS Name: 4-[methyl-[4-(4-morpholinyl)-1,4-dioxo-2-(phenylmethyl)sulfonylbutyl]amino]-3-oxo-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-benzylsulfonyl-4-morpholin-4-yl-4-oxobutanoyl)-methylamino]-3-oxoazepane-1-carboxylate Traditional Name: 4-[(2-benzylsulfonyl-4-keto-4-morpholino-butanoyl)-methyl-amino]-3-keto-azepane-1-carboxylic acid tert-butyl ester Formula: C27H39N3O8S MolecularWeight: 565.67886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C(=O)C1)N(C)C(=O)C(CC(=O)N2CCOCC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C(=O)C1)N(C)C(=O)C(CC(=O)N2CCOCC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C27H39N3O8S/c1-27(2,3)38-26(34)30-12-8-11-21(22(31)18-30)28(4)25(33)23(17-24(32)29-13-15-37-16-14-29)39(35,36)19-20-9-6-5-7-10-20/h5-7,9-10,21,23H,8,11-19H2,1-4H3