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

Systemtic Name: 3-[3-[4-(4-carbamimidoylphenyl)-2-(methylsulfonylamino)phenyl]-2-oxidanylidene-imidazolidin-1-yl]propanoic acid Openeye Name: 3-[3-[4-(4-carbamimidoylphenyl)-2-(methanesulfonamido)phenyl]-2-oxo-imidazolidin-1-yl]propanoic acid CAS Name: 3-[3-[4-(4-carbamimidoylphenyl)-2-(methanesulfonamido)phenyl]-2-oxo-1-imidazolidinyl]propanoic acid IUPAC Name: 3-[3-[4-(4-carbamimidoylphenyl)-2-(methanesulfonamido)phenyl]-2-oxoimidazolidin-1-yl]propanoic acid Traditional Name: 3-[3-[4-(4-amidinophenyl)-2-(methanesulfonamido)phenyl]-2-keto-imidazolidin-1-yl]propionic acid Formula: C20H23N5O5S MolecularWeight: 445.49212

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=N)N)N3CCN(C3=O)CCC(=O)O

Isomeric SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=N)N)N3CCN(C3=O)CCC(=O)O

InChI

InChI=1S/C20H23N5O5S/c1-31(29,30)23-16-12-15(13-2-4-14(5-3-13)19(21)22)6-7-17(16)25-11-10-24(20(25)28)9-8-18(26)27/h2-7,12,23H,8-11H2,1H3,(H3,21,22)(H,26,27)