5-[[2-(1-benzofuran-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-2-methyl-N-(oxan-4-yl)-6-oxidanylidene-azepane-1-carboxamide

Systemtic Name: 5-[[2-(1-benzofuran-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-2-methyl-N-(oxan-4-yl)-6-oxidanylidene-azepane-1-carboxamide Openeye Name: 5-[[2-(benzofuran-2-carbonylamino)-4-methyl-pentanoyl]amino]-2-methyl-6-oxo-N-tetrahydropyran-4-yl-azepane-1-carboxamide CAS Name: 5-[[2-[[2-benzofuranyl(oxo)methyl]amino]-4-methyl-1-oxopentyl]amino]-2-methyl-N-(4-oxanyl)-6-oxo-1-azepanecarboxamide IUPAC Name: 5-[[2-(1-benzofuran-2-carbonylamino)-4-methylpentanoyl]amino]-2-methyl-N-(oxan-4-yl)-6-oxoazepane-1-carboxamide Traditional Name: 5-[[2-(benzofuran-2-carbonylamino)-4-methyl-pentanoyl]amino]-6-keto-2-methyl-N-tetrahydropyran-4-yl-azepane-1-carboxamide Formula: C28H38N4O6 MolecularWeight: 526.62452

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)CN1C(=O)NC2CCOCC2)NC(=O)C(CC(C)C)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1CCC(C(=O)CN1C(=O)NC2CCOCC2)NC(=O)C(CC(C)C)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C28H38N4O6/c1-17(2)14-22(31-27(35)25-15-19-6-4-5-7-24(19)38-25)26(34)30-21-9-8-18(3)32(16-23(21)33)28(36)29-20-10-12-37-13-11-20/h4-7,15,17-18,20-22H,8-14,16H2,1-3H3,(H,29,36)(H,30,34)(H,31,35)