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

Systemtic Name: 2-[(2-aminophenyl)sulfonylamino]-3-[4-(4-carbamimidoylphenoxy)butanoylamino]propanoic acid Openeye Name: 2-[(2-aminophenyl)sulfonylamino]-3-[4-(4-carbamimidoylphenoxy)butanoylamino]propanoic acid CAS Name: 2-[(2-aminophenyl)sulfonylamino]-3-[[4-(4-carbamimidoylphenoxy)-1-oxobutyl]amino]propanoic acid IUPAC Name: 2-[(2-aminophenyl)sulfonylamino]-3-[4-(4-carbamimidoylphenoxy)butanoylamino]propanoic acid Traditional Name: 3-[4-(4-amidinophenoxy)butanoylamino]-2-[(2-aminophenyl)sulfonylamino]propionic acid Formula: C20H25N5O6S MolecularWeight: 463.5074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O6S/c21-15-4-1-2-5-17(15)32(29,30)25-16(20(27)28)12-24-18(26)6-3-11-31-14-9-7-13(8-10-14)19(22)23/h1-2,4-5,7-10,16,25H,3,6,11-12,21H2,(H3,22,23)(H,24,26)(H,27,28)