2-(dibenzofuran-2-ylsulfonylamino)-6-[3-(3,4-dimethoxyphenyl)propanoylamino]hexanoic acid

Systemtic Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[3-(3,4-dimethoxyphenyl)propanoylamino]hexanoic acid Openeye Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[3-(3,4-dimethoxyphenyl)propanoylamino]hexanoic acid CAS Name: 2-(2-dibenzofuranylsulfonylamino)-6-[[3-(3,4-dimethoxyphenyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[3-(3,4-dimethoxyphenyl)propanoylamino]hexanoic acid Traditional Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[3-(3,4-dimethoxyphenyl)propanoylamino]hexanoic acid Formula: C29H32N2O8S MolecularWeight: 568.63798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)OC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)OC4=CC=CC=C43)OC

InChI

InChI=1S/C29H32N2O8S/c1-37-26-13-10-19(17-27(26)38-2)11-15-28(32)30-16-6-5-8-23(29(33)34)31-40(35,36)20-12-14-25-22(18-20)21-7-3-4-9-24(21)39-25/h3-4,7,9-10,12-14,17-18,23,31H,5-6,8,11,15-16H2,1-2H3,(H,30,32)(H,33,34)