3-[[1-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonyl]piperidin-3-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[1-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonyl]piperidin-3-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[1-(5-carbamimidoylbenzofuran-2-carbonyl)piperidine-3-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[[1-[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]-3-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[1-(5-carbamimidoyl-1-benzofuran-2-carbonyl)piperidine-3-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[1-(5-amidinobenzofuran-2-carbonyl)nipecotoyl]amino]-3-phenyl-propionic acid Formula: C25H26N4O5 MolecularWeight: 462.49774

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N)C(=O)NC(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N)C(=O)NC(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4O5/c26-23(27)16-8-9-20-18(11-16)12-21(34-20)25(33)29-10-4-7-17(14-29)24(32)28-19(13-22(30)31)15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12,17,19H,4,7,10,13-14H2,(H3,26,27)(H,28,32)(H,30,31)