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

Systemtic Name: 2-(butylsulfonylamino)-3-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]phenyl]propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[4-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]phenyl]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[4-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[4-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]phenyl]propanoic acid Traditional Name: 3-[4-[(5-amidinobenzofuran-2-carbonyl)amino]phenyl]-2-(butylsulfonylamino)propionic acid Formula: C23H26N4O6S MolecularWeight: 486.54074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C23H26N4O6S/c1-2-3-10-34(31,32)27-18(23(29)30)11-14-4-7-17(8-5-14)26-22(28)20-13-16-12-15(21(24)25)6-9-19(16)33-20/h4-9,12-13,18,27H,2-3,10-11H2,1H3,(H3,24,25)(H,26,28)(H,29,30)