2-(butylsulfonylamino)-3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoic acid

Systemtic Name: 2-(butylsulfonylamino)-3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]phenyl]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]phenyl]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[4-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]phenyl]-2-(butylsulfonylamino)propionic acid Formula: C23H29N5O5S MolecularWeight: 487.57186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C23H29N5O5S/c1-2-3-14-34(32,33)26-20(22(29)30)15-16-4-8-18(9-5-16)27-12-13-28(23(27)31)19-10-6-17(7-11-19)21(24)25/h4-11,20,26H,2-3,12-15H2,1H3,(H3,24,25)(H,29,30)