2-[[5-[[2-(1-benzofuran-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-2-methyl-6-oxidanyl-azepan-1-yl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[5-[[2-(1-benzofuran-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-2-methyl-6-oxidanyl-azepan-1-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[5-[[2-(benzofuran-2-carbonylamino)-4-methyl-pentanoyl]amino]-6-hydroxy-2-methyl-azepane-1-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[5-[[2-[[2-benzofuranyl(oxo)methyl]amino]-4-methyl-1-oxopentyl]amino]-6-hydroxy-2-methyl-1-azepanyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[5-[[2-(1-benzofuran-2-carbonylamino)-4-methylpentanoyl]amino]-6-hydroxy-2-methylazepane-1-carbonyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[5-[[2-(benzofuran-2-carbonylamino)-4-methyl-pentanoyl]amino]-6-hydroxy-2-methyl-azepane-1-carbonyl]amino]-4-methyl-valeric acid Formula: C29H42N4O7 MolecularWeight: 558.66638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42N4O7/c1-16(2)12-21(31-27(36)25-14-19-8-6-7-9-24(19)40-25)26(35)30-20-11-10-18(5)33(15-23(20)34)29(39)32-22(28(37)38)13-17(3)4/h6-9,14,16-18,20-23,34H,10-13,15H2,1-5H3,(H,30,35)(H,31,36)(H,32,39)(H,37,38)