N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]-4-pyrrolidin-1-ylcarbonyl-benzamide

Systemtic Name: N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]-4-pyrrolidin-1-ylcarbonyl-benzamide Openeye Name: N-[N-(2-methylbenzofuran-5-yl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]-4-(pyrrolidine-1-carbonyl)benzamide CAS Name: N-[[(2-methyl-5-benzofuranyl)amino]-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino]methyl]-4-[oxo(1-pyrrolidinyl)methyl]benzamide IUPAC Name: N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl]-4-(pyrrolidine-1-carbonyl)benzamide Traditional Name: N-[N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-N-(2-methylbenzofuran-5-yl)amidino]-4-(pyrrolidine-1-carbonyl)benzamide Formula: C34H40N6O5 MolecularWeight: 612.7186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)C5=CC=C(C=C5)C(=O)N6CCCC6

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)C5=CC=C(C=C5)C(=O)N6CCCC6

InChI

InChI=1S/C34H40N6O5/c1-23-20-26-21-27(13-14-29(26)45-23)35-34(37-31(42)24-9-11-25(12-10-24)32(43)39-17-6-7-18-39)36-28-8-2-3-19-40(33(28)44)22-30(41)38-15-4-5-16-38/h9-14,20-21,28H,2-8,15-19,22H2,1H3,(H2,35,36,37,42)