2-[[4-[[2-(1-benzofuran-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-3-oxidanyl-azepan-1-yl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[4-[[2-(1-benzofuran-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-3-oxidanyl-azepan-1-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[4-[[2-(benzofuran-2-carbonylamino)-4-methyl-pentanoyl]amino]-3-hydroxy-azepane-1-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[4-[[2-[[2-benzofuranyl(oxo)methyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-azepanyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[4-[[2-(1-benzofuran-2-carbonylamino)-4-methylpentanoyl]amino]-3-hydroxyazepane-1-carbonyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[4-[[2-(benzofuran-2-carbonylamino)-4-methyl-pentanoyl]amino]-3-hydroxy-azepane-1-carbonyl]amino]-4-methyl-valeric acid Formula: C28H40N4O7 MolecularWeight: 544.6398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1O)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CC(C)CC(C(=O)NC1CCCN(CC1O)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C28H40N4O7/c1-16(2)12-20(30-26(35)24-14-18-8-5-6-10-23(18)39-24)25(34)29-19-9-7-11-32(15-22(19)33)28(38)31-21(27(36)37)13-17(3)4/h5-6,8,10,14,16-17,19-22,33H,7,9,11-13,15H2,1-4H3,(H,29,34)(H,30,35)(H,31,38)(H,36,37)