2-(dibenzofuran-2-ylsulfonylamino)-6-[(phenylmethylsulfanyl)carbamoylamino]hexanoic acid

Systemtic Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-[(phenylmethylsulfanyl)carbamoylamino]hexanoic acid Openeye Name: 6-(benzylsulfanylcarbamoylamino)-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid CAS Name: 2-(2-dibenzofuranylsulfonylamino)-6-[[oxo-[(phenylmethylthio)amino]methyl]amino]hexanoic acid IUPAC Name: 6-(benzylsulfanylcarbamoylamino)-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid Traditional Name: 6-[(benzylthio)carbamoylamino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid Formula: C26H27N3O6S2 MolecularWeight: 541.63908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O6S2/c30-25(31)22(11-6-7-15-27-26(32)28-36-17-18-8-2-1-3-9-18)29-37(33,34)19-13-14-24-21(16-19)20-10-4-5-12-23(20)35-24/h1-5,8-10,12-14,16,22,29H,6-7,11,15,17H2,(H,30,31)(H2,27,28,32)