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

Systemtic Name: 2-(butylsulfonylamino)-3-[5-(4-carbamimidoylphenoxy)pentanoylamino]propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[5-(4-carbamimidoylphenoxy)pentanoylamino]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[[5-(4-carbamimidoylphenoxy)-1-oxopentyl]amino]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[5-(4-carbamimidoylphenoxy)pentanoylamino]propanoic acid Traditional Name: 3-[5-(4-amidinophenoxy)pentanoylamino]-2-(butylsulfonylamino)propionic acid Formula: C19H30N4O6S MolecularWeight: 442.5297

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CNC(=O)CCCCOC1=CC=C(C=C1)C(=N)N)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CNC(=O)CCCCOC1=CC=C(C=C1)C(=N)N)C(=O)O

InChI

InChI=1S/C19H30N4O6S/c1-2-3-12-30(27,28)23-16(19(25)26)13-22-17(24)6-4-5-11-29-15-9-7-14(8-10-15)18(20)21/h7-10,16,23H,2-6,11-13H2,1H3,(H3,20,21)(H,22,24)(H,25,26)