5-[[2-(1-benzofuran-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-2-methyl-6-oxidanyl-azepane-1-carboxylic acid

Systemtic Name: 5-[[2-(1-benzofuran-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-2-methyl-6-oxidanyl-azepane-1-carboxylic acid Openeye Name: 5-[[2-(benzofuran-2-carbonylamino)-4-methyl-pentanoyl]amino]-6-hydroxy-2-methyl-azepane-1-carboxylic acid CAS Name: 5-[[2-[[2-benzofuranyl(oxo)methyl]amino]-4-methyl-1-oxopentyl]amino]-6-hydroxy-2-methyl-1-azepanecarboxylic acid IUPAC Name: 5-[[2-(1-benzofuran-2-carbonylamino)-4-methylpentanoyl]amino]-6-hydroxy-2-methylazepane-1-carboxylic acid Traditional Name: 5-[[2-(benzofuran-2-carbonylamino)-4-methyl-pentanoyl]amino]-6-hydroxy-2-methyl-azepane-1-carboxylic acid Formula: C23H31N3O6 MolecularWeight: 445.50874

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(CN1C(=O)O)O)NC(=O)C(CC(C)C)NC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CC1CCC(C(CN1C(=O)O)O)NC(=O)C(CC(C)C)NC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C23H31N3O6/c1-13(2)10-17(25-22(29)20-11-15-6-4-5-7-19(15)32-20)21(28)24-16-9-8-14(3)26(23(30)31)12-18(16)27/h4-7,11,13-14,16-18,27H,8-10,12H2,1-3H3,(H,24,28)(H,25,29)(H,30,31)