2-(dibenzofuran-2-ylsulfonylamino)-6-[3-(2-methoxyphenyl)propanoylamino]hexanoic acid

Systemtic Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[3-(2-methoxyphenyl)propanoylamino]hexanoic acid Openeye Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[3-(2-methoxyphenyl)propanoylamino]hexanoic acid CAS Name: 2-(2-dibenzofuranylsulfonylamino)-6-[[3-(2-methoxyphenyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[3-(2-methoxyphenyl)propanoylamino]hexanoic acid Traditional Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[3-(2-methoxyphenyl)propanoylamino]hexanoic acid Formula: C28H30N2O7S MolecularWeight: 538.612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)OC4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC=C1CCC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)OC4=CC=CC=C43

InChI

InChI=1S/C28H30N2O7S/c1-36-24-11-4-2-8-19(24)13-16-27(31)29-17-7-6-10-23(28(32)33)30-38(34,35)20-14-15-26-22(18-20)21-9-3-5-12-25(21)37-26/h2-5,8-9,11-12,14-15,18,23,30H,6-7,10,13,16-17H2,1H3,(H,29,31)(H,32,33)