4-[[2-(1-benzofuran-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-N-(5-methyl-2-oxidanylidene-hexan-3-yl)-3-oxidanylidene-azepane-1-carboxamide

Systemtic Name: 4-[[2-(1-benzofuran-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-N-(5-methyl-2-oxidanylidene-hexan-3-yl)-3-oxidanylidene-azepane-1-carboxamide Openeye Name: N-(1-acetyl-3-methyl-butyl)-4-[[2-(benzofuran-2-carbonylamino)-4-methyl-pentanoyl]amino]-3-oxo-azepane-1-carboxamide CAS Name: 4-[[2-[[2-benzofuranyl(oxo)methyl]amino]-4-methyl-1-oxopentyl]amino]-N-(5-methyl-2-oxohexan-3-yl)-3-oxo-1-azepanecarboxamide IUPAC Name: 4-[[2-(1-benzofuran-2-carbonylamino)-4-methylpentanoyl]amino]-N-(5-methyl-2-oxohexan-3-yl)-3-oxoazepane-1-carboxamide Traditional Name: N-(1-acetyl-3-methyl-butyl)-4-[[2-(benzofuran-2-carbonylamino)-4-methyl-pentanoyl]amino]-3-keto-azepane-1-carboxamide Formula: C29H40N4O6 MolecularWeight: 540.6511

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C)NC(=O)N1CCCC(C(=O)C1)NC(=O)C(CC(C)C)NC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CC(C)CC(C(=O)C)NC(=O)N1CCCC(C(=O)C1)NC(=O)C(CC(C)C)NC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C29H40N4O6/c1-17(2)13-22(19(5)34)32-29(38)33-12-8-10-21(24(35)16-33)30-27(36)23(14-18(3)4)31-28(37)26-15-20-9-6-7-11-25(20)39-26/h6-7,9,11,15,17-18,21-23H,8,10,12-14,16H2,1-5H3,(H,30,36)(H,31,37)(H,32,38)