2-azanyl-2-[5-[[2-(1-benzofuran-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-2-methyl-6-oxidanylidene-azepan-1-yl]carbonyl-4-methyl-pentanoic acid

Systemtic Name: 2-azanyl-2-[5-[[2-(1-benzofuran-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-2-methyl-6-oxidanylidene-azepan-1-yl]carbonyl-4-methyl-pentanoic acid Openeye Name: 2-amino-2-[5-[[2-(benzofuran-2-carbonylamino)-4-methyl-pentanoyl]amino]-2-methyl-6-oxo-azepane-1-carbonyl]-4-methyl-pentanoic acid CAS Name: 2-amino-2-[[5-[[2-[[2-benzofuranyl(oxo)methyl]amino]-4-methyl-1-oxopentyl]amino]-2-methyl-6-oxo-1-azepanyl]-oxomethyl]-4-methylpentanoic acid IUPAC Name: 2-amino-2-[5-[[2-(1-benzofuran-2-carbonylamino)-4-methylpentanoyl]amino]-2-methyl-6-oxoazepane-1-carbonyl]-4-methylpentanoic acid Traditional Name: 2-amino-2-[5-[[2-(benzofuran-2-carbonylamino)-4-methyl-pentanoyl]amino]-6-keto-2-methyl-azepane-1-carbonyl]-4-methyl-valeric acid Formula: C29H40N4O7 MolecularWeight: 556.6505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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