3-[5-(4-carbamimidoylphenoxy)pentanoylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[5-(4-carbamimidoylphenoxy)pentanoylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[5-(4-carbamimidoylphenoxy)pentanoylamino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[5-(4-carbamimidoylphenoxy)-1-oxopentyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[5-(4-carbamimidoylphenoxy)pentanoylamino]propanoic acid Traditional Name: 3-[5-(4-amidinophenoxy)pentanoylamino]-2-(benzenesulfonamido)propionic acid Formula: C21H26N4O6S MolecularWeight: 462.51934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)CCCCOC2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)CCCCOC2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C21H26N4O6S/c22-20(23)15-9-11-16(12-10-15)31-13-5-4-8-19(26)24-14-18(21(27)28)25-32(29,30)17-6-2-1-3-7-17/h1-3,6-7,9-12,18,25H,4-5,8,13-14H2,(H3,22,23)(H,24,26)(H,27,28)