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

Systemtic Name: 2-(butylsulfonylamino)-3-[4-(4-carbamimidoylphenoxy)butanoylamino]propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[4-(4-carbamimidoylphenoxy)butanoylamino]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[[4-(4-carbamimidoylphenoxy)-1-oxobutyl]amino]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[4-(4-carbamimidoylphenoxy)butanoylamino]propanoic acid Traditional Name: 3-[4-(4-amidinophenoxy)butanoylamino]-2-(butylsulfonylamino)propionic acid Formula: C18H28N4O6S MolecularWeight: 428.50312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CNC(=O)CCCOC1=CC=C(C=C1)C(=N)N)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CNC(=O)CCCOC1=CC=C(C=C1)C(=N)N)C(=O)O

InChI

InChI=1S/C18H28N4O6S/c1-2-3-11-29(26,27)22-15(18(24)25)12-21-16(23)5-4-10-28-14-8-6-13(7-9-14)17(19)20/h6-9,15,22H,2-5,10-12H2,1H3,(H3,19,20)(H,21,23)(H,24,25)