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

Systemtic Name: 3-[4-(4-carbamimidoylphenoxy)butanoylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[4-(4-carbamimidoylphenoxy)butanoylamino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[4-(4-carbamimidoylphenoxy)-1-oxobutyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[4-(4-carbamimidoylphenoxy)butanoylamino]propanoic acid Traditional Name: 3-[4-(4-amidinophenoxy)butanoylamino]-2-(benzenesulfonamido)propionic acid Formula: C20H24N4O6S MolecularWeight: 448.49276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)CCCOC2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)CCCOC2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C20H24N4O6S/c21-19(22)14-8-10-15(11-9-14)30-12-4-7-18(25)23-13-17(20(26)27)24-31(28,29)16-5-2-1-3-6-16/h1-3,5-6,8-11,17,24H,4,7,12-13H2,(H3,21,22)(H,23,25)(H,26,27)