methyl 2-[[5-[[2-(1-benzofuran-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-2-methyl-6-oxidanylidene-azepan-1-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[[5-[[2-(1-benzofuran-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-2-methyl-6-oxidanylidene-azepan-1-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[5-[[2-(benzofuran-2-carbonylamino)-4-methyl-pentanoyl]amino]-2-methyl-6-oxo-azepane-1-carbonyl]amino]-4-methyl-pentanoate CAS Name: 2-[[[5-[[2-[[2-benzofuranyl(oxo)methyl]amino]-4-methyl-1-oxopentyl]amino]-2-methyl-6-oxo-1-azepanyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[5-[[2-(1-benzofuran-2-carbonylamino)-4-methylpentanoyl]amino]-2-methyl-6-oxoazepane-1-carbonyl]amino]-4-methylpentanoate Traditional Name: 2-[[5-[[2-(benzofuran-2-carbonylamino)-4-methyl-pentanoyl]amino]-6-keto-2-methyl-azepane-1-carbonyl]amino]-4-methyl-valeric acid methyl ester Formula: C30H42N4O7 MolecularWeight: 570.67708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H42N4O7/c1-17(2)13-22(32-28(37)26-15-20-9-7-8-10-25(20)41-26)27(36)31-21-12-11-19(5)34(16-24(21)35)30(39)33-23(14-18(3)4)29(38)40-6/h7-10,15,17-19,21-23H,11-14,16H2,1-6H3,(H,31,36)(H,32,37)(H,33,39)