2-(dibenzofuran-2-ylsulfonylamino)-6-(2-phenylazanylethanoylamino)hexanoic acid

Systemtic Name: 2-(dibenzofuran-2-ylsulfonylamino)-6-(2-phenylazanylethanoylamino)hexanoic acid Openeye Name: 6-[(2-anilinoacetyl)amino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid CAS Name: 6-[(2-anilino-1-oxoethyl)amino]-2-(2-dibenzofuranylsulfonylamino)hexanoic acid IUPAC Name: 6-[(2-anilinoacetyl)amino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid Traditional Name: 6-[(2-anilinoacetyl)amino]-2-(dibenzofuran-2-ylsulfonylamino)hexanoic acid Formula: C26H27N3O6S MolecularWeight: 509.57408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O6S/c30-25(17-28-18-8-2-1-3-9-18)27-15-7-6-11-22(26(31)32)29-36(33,34)19-13-14-24-21(16-19)20-10-4-5-12-23(20)35-24/h1-5,8-10,12-14,16,22,28-29H,6-7,11,15,17H2,(H,27,30)(H,31,32)