3-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]phenyl]-2-[3-(4-methoxyphenyl)propanoylamino]propanoate

Systemtic Name: 3-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]phenyl]-2-[3-(4-methoxyphenyl)propanoylamino]propanoate Openeye Name: 3-[4-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]phenyl]-2-[3-(4-methoxyphenyl)propanoylamino]propanoate CAS Name: 3-[4-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]phenyl]-2-[[3-(4-methoxyphenyl)-1-oxopropyl]amino]propanoate IUPAC Name: 3-[4-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]phenyl]-2-[3-(4-methoxyphenyl)propanoylamino]propanoate Traditional Name: 3-[4-[(5-amidinobenzofuran-2-carbonyl)amino]phenyl]-2-[3-(4-methoxyphenyl)propanoylamino]propionate Formula: C29H27N4O6- MolecularWeight: 527.54788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)NC(CC2=CC=C(C=C2)NC(=O)C3=CC4=C(O3)C=CC(=C4)C(=N)N)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=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/C29H28N4O6/c1-38-22-10-4-17(5-11-22)6-13-26(34)33-23(29(36)37)14-18-2-8-21(9-3-18)32-28(35)25-16-20-15-19(27(30)31)7-12-24(20)39-25/h2-5,7-12,15-16,23H,6,13-14H2,1H3,(H3,30,31)(H,32,35)(H,33,34)(H,36,37)/p-1