3-[[2-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[2-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[2-(5-carbamimidoylbenzofuran-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[[2-[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[2-(5-carbamimidoyl-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[2-(5-amidinobenzofuran-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenyl-propionic acid Formula: C29H26N4O5 MolecularWeight: 510.54054

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC4=C(O3)C=CC(=C4)C(=N)N)C(=O)NC(CC(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC4=C(O3)C=CC(=C4)C(=N)N)C(=O)NC(CC(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C29H26N4O5/c30-27(31)19-10-11-24-21(12-19)14-25(38-24)29(37)33-16-20-9-5-4-8-18(20)13-23(33)28(36)32-22(15-26(34)35)17-6-2-1-3-7-17/h1-12,14,22-23H,13,15-16H2,(H3,30,31)(H,32,36)(H,34,35)