methyl 2-[[4-[[2-(1-benzofuran-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-3-oxidanylidene-azepan-1-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[[4-[[2-(1-benzofuran-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-3-oxidanylidene-azepan-1-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[4-[[2-(benzofuran-2-carbonylamino)-4-methyl-pentanoyl]amino]-3-oxo-azepane-1-carbonyl]amino]-4-methyl-pentanoate CAS Name: 2-[[[4-[[2-[[2-benzofuranyl(oxo)methyl]amino]-4-methyl-1-oxopentyl]amino]-3-oxo-1-azepanyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[4-[[2-(1-benzofuran-2-carbonylamino)-4-methylpentanoyl]amino]-3-oxoazepane-1-carbonyl]amino]-4-methylpentanoate Traditional Name: 2-[[4-[[2-(benzofuran-2-carbonylamino)-4-methyl-pentanoyl]amino]-3-keto-azepane-1-carbonyl]amino]-4-methyl-valeric acid methyl ester Formula: C29H40N4O7 MolecularWeight: 556.6505

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1=O)C(=O)NC(CC(C)C)C(=O)OC)NC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CC(C)CC(C(=O)NC1CCCN(CC1=O)C(=O)NC(CC(C)C)C(=O)OC)NC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C29H40N4O7/c1-17(2)13-21(31-27(36)25-15-19-9-6-7-11-24(19)40-25)26(35)30-20-10-8-12-33(16-23(20)34)29(38)32-22(14-18(3)4)28(37)39-5/h6-7,9,11,15,17-18,20-22H,8,10,12-14,16H2,1-5H3,(H,30,35)(H,31,36)(H,32,38)