3-(1-benzofuran-5-yloxy)-5-octyl-4-[4-[(2-sulfophenyl)carbonylamino]imidazol-1-yl]-6-oxa-3-azabicyclo[3.1.0]hexane-4-carboxylic acid

Systemtic Name: 3-(1-benzofuran-5-yloxy)-5-octyl-4-[4-[(2-sulfophenyl)carbonylamino]imidazol-1-yl]-6-oxa-3-azabicyclo[3.1.0]hexane-4-carboxylic acid Openeye Name: 3-(benzofuran-5-yloxy)-5-octyl-4-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]-6-oxa-3-azabicyclo[3.1.0]hexane-4-carboxylic acid CAS Name: 3-(5-benzofuranyloxy)-5-octyl-4-[4-[[oxo-(2-sulfophenyl)methyl]amino]-1-imidazolyl]-6-oxa-3-azabicyclo[3.1.0]hexane-4-carboxylic acid IUPAC Name: 3-(1-benzofuran-5-yloxy)-5-octyl-4-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]-6-oxa-3-azabicyclo[3.1.0]hexane-4-carboxylic acid Traditional Name: 3-(benzofuran-5-yloxy)-5-octyl-4-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]-6-oxa-3-azabicyclo[3.1.0]hexane-4-carboxylic acid Formula: C31H34N4O9S MolecularWeight: 638.68806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC12C(O1)CN(C2(C(=O)O)N3C=C(N=C3)NC(=O)C4=CC=CC=C4S(=O)(=O)O)OC5=CC6=C(C=C5)OC=C6

Isomeric SMILES

CCCCCCCCC12C(O1)CN(C2(C(=O)O)N3C=C(N=C3)NC(=O)C4=CC=CC=C4S(=O)(=O)O)OC5=CC6=C(C=C5)OC=C6

InChI

InChI=1S/C31H34N4O9S/c1-2-3-4-5-6-9-15-30-26(43-30)18-35(44-22-12-13-24-21(17-22)14-16-42-24)31(30,29(37)38)34-19-27(32-20-34)33-28(36)23-10-7-8-11-25(23)45(39,40)41/h7-8,10-14,16-17,19-20,26H,2-6,9,15,18H2,1H3,(H,33,36)(H,37,38)(H,39,40,41)