2-(dibenzofuran-2-ylsulfonylamino)-6-[3-(4-methoxyphenyl)propanoylamino]hexanoic acid

Systemtic Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[3-(4-methoxyphenyl)propanoylamino]hexanoic acid Openeye Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[3-(4-methoxyphenyl)propanoylamino]hexanoic acid CAS Name: 2-(2-dibenzofuranylsulfonylamino)-6-[[3-(4-methoxyphenyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[3-(4-methoxyphenyl)propanoylamino]hexanoic acid Traditional Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[3-(4-methoxyphenyl)propanoylamino]hexanoic acid Formula: C28H30N2O7S MolecularWeight: 538.612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)OC4=CC=CC=C43

Isomeric SMILES

COC1=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/C28H30N2O7S/c1-36-20-12-9-19(10-13-20)11-16-27(31)29-17-5-4-7-24(28(32)33)30-38(34,35)21-14-15-26-23(18-21)22-6-2-3-8-25(22)37-26/h2-3,6,8-10,12-15,18,24,30H,4-5,7,11,16-17H2,1H3,(H,29,31)(H,32,33)