3-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]phenyl]-2-(2-piperidin-4-yloxyethanoylamino)propanoic acid

Systemtic Name: 3-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]phenyl]-2-(2-piperidin-4-yloxyethanoylamino)propanoic acid Openeye Name: 3-[4-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]phenyl]-2-[[2-(4-piperidyloxy)acetyl]amino]propanoic acid CAS Name: 3-[4-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]phenyl]-2-[[1-oxo-2-(4-piperidinyloxy)ethyl]amino]propanoic acid IUPAC Name: 3-[4-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]phenyl]-2-[(2-piperidin-4-yloxyacetyl)amino]propanoic acid Traditional Name: 3-[4-[(5-amidinobenzofuran-2-carbonyl)amino]phenyl]-2-[[2-(4-piperidyloxy)acetyl]amino]propionic acid Formula: C26H29N5O6 MolecularWeight: 507.53836

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1OCC(=O)NC(CC2=CC=C(C=C2)NC(=O)C3=CC4=C(O3)C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1CNCCC1OCC(=O)NC(CC2=CC=C(C=C2)NC(=O)C3=CC4=C(O3)C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C26H29N5O6/c27-24(28)16-3-6-21-17(12-16)13-22(37-21)25(33)30-18-4-1-15(2-5-18)11-20(26(34)35)31-23(32)14-36-19-7-9-29-10-8-19/h1-6,12-13,19-20,29H,7-11,14H2,(H3,27,28)(H,30,33)(H,31,32)(H,34,35)