2-(dibenzofuran-2-ylsulfonylamino)-6-[4-(1H-indol-3-yl)butanoylamino]hexanoic acid

Systemtic Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[4-(1H-indol-3-yl)butanoylamino]hexanoic acid Openeye Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[4-(1H-indol-3-yl)butanoylamino]hexanoic acid CAS Name: 2-(2-dibenzofuranylsulfonylamino)-6-[[4-(1H-indol-3-yl)-1-oxobutyl]amino]hexanoic acid IUPAC Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[4-(1H-indol-3-yl)butanoylamino]hexanoic acid Traditional Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[4-(1H-indol-3-yl)butanoylamino]hexanoic acid Formula: C30H31N3O6S MolecularWeight: 561.64864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C3=CC4=C(C=C3)OC5=CC=CC=C54

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)NCCCCC(C(=O)O)NS(=O)(=O)C3=CC4=C(C=C3)OC5=CC=CC=C54

InChI

InChI=1S/C30H31N3O6S/c34-29(14-7-8-20-19-32-25-11-3-1-9-22(20)25)31-17-6-5-12-26(30(35)36)33-40(37,38)21-15-16-28-24(18-21)23-10-2-4-13-27(23)39-28/h1-4,9-11,13,15-16,18-19,26,32-33H,5-8,12,14,17H2,(H,31,34)(H,35,36)