2-[(3-carbamimidoylphenyl)amino]-3-oxidanylidene-3-[[4-(2-sulfamoylphenyl)phenyl]amino]propanoic acid

Systemtic Name: 2-[(3-carbamimidoylphenyl)amino]-3-oxidanylidene-3-[[4-(2-sulfamoylphenyl)phenyl]amino]propanoic acid Openeye Name: 2-(3-carbamimidoylanilino)-3-oxo-3-[4-(2-sulfamoylphenyl)anilino]propanoic acid CAS Name: 2-(3-carbamimidoylanilino)-3-oxo-3-[4-(2-sulfamoylphenyl)anilino]propanoic acid IUPAC Name: 2-(3-carbamimidoylanilino)-3-oxo-3-[4-(2-sulfamoylphenyl)anilino]propanoic acid Traditional Name: 2-(3-amidinoanilino)-3-keto-3-[4-(2-sulfamoylphenyl)anilino]propionic acid Formula: C22H21N5O5S MolecularWeight: 467.49764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)NC(=O)C(C(=O)O)NC3=CC=CC(=C3)C(=N)N)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)NC(=O)C(C(=O)O)NC3=CC=CC(=C3)C(=N)N)S(=O)(=O)N

InChI

InChI=1S/C22H21N5O5S/c23-20(24)14-4-3-5-16(12-14)26-19(22(29)30)21(28)27-15-10-8-13(9-11-15)17-6-1-2-7-18(17)33(25,31)32/h1-12,19,26H,(H3,23,24)(H,27,28)(H,29,30)(H2,25,31,32)