2-(dibenzofuran-2-ylsulfonylamino)-6-(2-pyridin-4-ylsulfanylethanoylamino)hexanoic acid

Systemtic Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-(2-pyridin-4-ylsulfanylethanoylamino)hexanoic acid Openeye Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[[2-(4-pyridylsulfanyl)acetyl]amino]hexanoic acid CAS Name: 2-(2-dibenzofuranylsulfonylamino)-6-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]hexanoic acid IUPAC Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[(2-pyridin-4-ylsulfanylacetyl)amino]hexanoic acid Traditional Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[[2-(4-pyridylthio)acetyl]amino]hexanoic acid Formula: C25H25N3O6S2 MolecularWeight: 527.6125

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)S(=O)(=O)NC(CCCCNC(=O)CSC4=CC=NC=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)S(=O)(=O)NC(CCCCNC(=O)CSC4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C25H25N3O6S2/c29-24(16-35-17-10-13-26-14-11-17)27-12-4-3-6-21(25(30)31)28-36(32,33)18-8-9-23-20(15-18)19-5-1-2-7-22(19)34-23/h1-2,5,7-11,13-15,21,28H,3-4,6,12,16H2,(H,27,29)(H,30,31)