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

Systemtic Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-(2-phenoxybutanoylamino)hexanoic acid Openeye Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-(2-phenoxybutanoylamino)hexanoic acid CAS Name: 2-(2-dibenzofuranylsulfonylamino)-6-[(1-oxo-2-phenoxybutyl)amino]hexanoic acid IUPAC Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-(2-phenoxybutanoylamino)hexanoic acid Traditional Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-(2-phenoxybutanoylamino)hexanoic acid Formula: C28H30N2O7S MolecularWeight: 538.612

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCCCC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OC3=CC=CC=C32)OC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NCCCCC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OC3=CC=CC=C32)OC4=CC=CC=C4

InChI

InChI=1S/C28H30N2O7S/c1-2-24(36-19-10-4-3-5-11-19)27(31)29-17-9-8-13-23(28(32)33)30-38(34,35)20-15-16-26-22(18-20)21-12-6-7-14-25(21)37-26/h3-7,10-12,14-16,18,23-24,30H,2,8-9,13,17H2,1H3,(H,29,31)(H,32,33)