2-(dibenzofuran-2-ylsulfonylamino)-6-(3-phenylpropanoylamino)hexanoic acid

Systemtic Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-(3-phenylpropanoylamino)hexanoic acid Openeye Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-(3-phenylpropanoylamino)hexanoic acid CAS Name: 2-(2-dibenzofuranylsulfonylamino)-6-[(1-oxo-3-phenylpropyl)amino]hexanoic acid IUPAC Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-(3-phenylpropanoylamino)hexanoic acid Traditional Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-(hydrocinnamoylamino)hexanoic acid Formula: C27H28N2O6S MolecularWeight: 508.58602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O6S/c30-26(16-13-19-8-2-1-3-9-19)28-17-7-6-11-23(27(31)32)29-36(33,34)20-14-15-25-22(18-20)21-10-4-5-12-24(21)35-25/h1-5,8-10,12,14-15,18,23,29H,6-7,11,13,16-17H2,(H,28,30)(H,31,32)