2-(butylsulfonylamino)-3-[4-[(4-carbamimidoylphenyl)carbonylcarbamoylamino]phenyl]propanoic acid

Systemtic Name: 2-(butylsulfonylamino)-3-[4-[(4-carbamimidoylphenyl)carbonylcarbamoylamino]phenyl]propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[4-[(4-carbamimidoylbenzoyl)carbamoylamino]phenyl]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[4-[[[[(4-carbamimidoylphenyl)-oxomethyl]amino]-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[4-[(4-carbamimidoylbenzoyl)carbamoylamino]phenyl]propanoic acid Traditional Name: 3-[4-[(4-amidinobenzoyl)carbamoylamino]phenyl]-2-(butylsulfonylamino)propionic acid Formula: C22H27N5O6S MolecularWeight: 489.54468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)NC(=O)NC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)NC(=O)NC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C22H27N5O6S/c1-2-3-12-34(32,33)27-18(21(29)30)13-14-4-10-17(11-5-14)25-22(31)26-20(28)16-8-6-15(7-9-16)19(23)24/h4-11,18,27H,2-3,12-13H2,1H3,(H3,23,24)(H,29,30)(H2,25,26,28,31)