6-[3-(1,3-benzodioxol-5-yl)propanoylamino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid

Systemtic Name: 6-[3-(1,3-benzodioxol-5-yl)propanoylamino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid Openeye Name: 6-[3-(1,3-benzodioxol-5-yl)propanoylamino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid CAS Name: 6-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-2-(2-dibenzofuranylsulfonylamino)hexanoic acid IUPAC Name: 6-[3-(1,3-benzodioxol-5-yl)propanoylamino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid Traditional Name: 6-[3-(1,3-benzodioxol-5-yl)propanoylamino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid Formula: C28H28N2O8S MolecularWeight: 552.59552

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C3=CC4=C(C=C3)OC5=CC=CC=C54

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C3=CC4=C(C=C3)OC5=CC=CC=C54

InChI

InChI=1S/C28H28N2O8S/c31-27(13-9-18-8-11-25-26(15-18)37-17-36-25)29-14-4-3-6-22(28(32)33)30-39(34,35)19-10-12-24-21(16-19)20-5-1-2-7-23(20)38-24/h1-2,5,7-8,10-12,15-16,22,30H,3-4,6,9,13-14,17H2,(H,29,31)(H,32,33)