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

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-oxidanylidene-4-pyrrolidin-1-yl-butanamide Openeye Name: N-[N-(2-methylbenzofuran-5-yl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]-4-oxo-4-pyrrolidin-1-yl-butanamide CAS Name: N-[[(2-methyl-5-benzofuranyl)amino]-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino]methyl]-4-oxo-4-(1-pyrrolidinyl)butanamide 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-oxo-4-pyrrolidin-1-ylbutanamide Traditional Name: 4-keto-N-[N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-N-(2-methylbenzofuran-5-yl)amidino]-4-pyrrolidino-butyramide Formula: C30H40N6O5 MolecularWeight: 564.6758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)CCC(=O)N5CCCC5

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)CCC(=O)N5CCCC5

InChI

InChI=1S/C30H40N6O5/c1-21-18-22-19-23(9-10-25(22)41-21)31-30(33-26(37)11-12-27(38)34-13-4-5-14-34)32-24-8-2-3-17-36(29(24)40)20-28(39)35-15-6-7-16-35/h9-10,18-19,24H,2-8,11-17,20H2,1H3,(H2,31,32,33,37)