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

Systemtic Name: 3-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[4-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]phenyl]propanoic acid CAS Name: 3-[4-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[4-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-[4-[(5-amidinobenzofuran-2-carbonyl)amino]phenyl]-2-(benzyloxycarbonylamino)propionic acid Formula: C27H24N4O6 MolecularWeight: 500.50266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)NC(=O)C3=CC4=C(O3)C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=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/C27H24N4O6/c28-24(29)18-8-11-22-19(13-18)14-23(37-22)25(32)30-20-9-6-16(7-10-20)12-21(26(33)34)31-27(35)36-15-17-4-2-1-3-5-17/h1-11,13-14,21H,12,15H2,(H3,28,29)(H,30,32)(H,31,35)(H,33,34)