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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CNC(=O)C1=CC2=C(O1)C=CC(=C2)C(=N)N)(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CNC(=O)C1=CC2=C(O1)C=CC(=C2)C(=N)N)(C3=CC=CC=C3)C(=O)O

InChI

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