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

Systemtic Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[2-(3,4-dimethoxyphenyl)ethanoylamino]hexanoic acid Openeye Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[[2-(3,4-dimethoxyphenyl)acetyl]amino]hexanoic acid CAS Name: 2-(2-dibenzofuranylsulfonylamino)-6-[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]hexanoic acid IUPAC Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[[2-(3,4-dimethoxyphenyl)acetyl]amino]hexanoic acid Traditional Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-(homoveratroylamino)hexanoic acid Formula: C28H30N2O8S MolecularWeight: 554.6114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H30N2O8S/c1-36-25-12-10-18(15-26(25)37-2)16-27(31)29-14-6-5-8-22(28(32)33)30-39(34,35)19-11-13-24-21(17-19)20-7-3-4-9-23(20)38-24/h3-4,7,9-13,15,17,22,30H,5-6,8,14,16H2,1-2H3,(H,29,31)(H,32,33)