2-(dibenzofuran-2-ylsulfonylamino)-6-(2-phenylbutanoylamino)hexanoic acid

Systemtic Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-(2-phenylbutanoylamino)hexanoic acid Openeye Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-(2-phenylbutanoylamino)hexanoic acid CAS Name: 2-(2-dibenzofuranylsulfonylamino)-6-[(1-oxo-2-phenylbutyl)amino]hexanoic acid IUPAC Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-(2-phenylbutanoylamino)hexanoic acid Traditional Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-(2-phenylbutanoylamino)hexanoic acid Formula: C28H30N2O6S MolecularWeight: 522.6126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O6S/c1-2-21(19-10-4-3-5-11-19)27(31)29-17-9-8-13-24(28(32)33)30-37(34,35)20-15-16-26-23(18-20)22-12-6-7-14-25(22)36-26/h3-7,10-12,14-16,18,21,24,30H,2,8-9,13,17H2,1H3,(H,29,31)(H,32,33)