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

Systemtic Name: 3-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]-2-phenyl-2-(trifluoromethylsulfonylamino)propanoic acid Openeye Name: 3-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]-2-phenyl-2-(trifluoromethylsulfonylamino)propanoic acid CAS Name: 3-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]-2-phenyl-2-(trifluoromethylsulfonylamino)propanoic acid IUPAC Name: 3-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]-2-phenyl-2-(trifluoromethylsulfonylamino)propanoic acid Traditional Name: 3-[(5-amidinobenzofuran-2-carbonyl)amino]-2-phenyl-2-(triflylamino)propionic acid Formula: C20H17F3N4O6S MolecularWeight: 498.43239

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N)(C(=O)O)NS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N)(C(=O)O)NS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C20H17F3N4O6S/c21-20(22,23)34(31,32)27-19(18(29)30,13-4-2-1-3-5-13)10-26-17(28)15-9-12-8-11(16(24)25)6-7-14(12)33-15/h1-9,27H,10H2,(H3,24,25)(H,26,28)(H,29,30)