3-(4-aminophenyl)-2-[2-[(4-sulfamoylphenyl)carbonylamino]ethanoylamino]propanoic acid

Systemtic Name: 3-(4-aminophenyl)-2-[2-[(4-sulfamoylphenyl)carbonylamino]ethanoylamino]propanoic acid Openeye Name: 3-(4-aminophenyl)-2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]propanoic acid CAS Name: 3-(4-aminophenyl)-2-[[1-oxo-2-[[oxo-(4-sulfamoylphenyl)methyl]amino]ethyl]amino]propanoic acid IUPAC Name: 3-(4-aminophenyl)-2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]propanoic acid Traditional Name: 3-(4-aminophenyl)-2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]propionic acid Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=O)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N)N

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC(=O)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N)N

InChI

InChI=1S/C18H20N4O6S/c19-13-5-1-11(2-6-13)9-15(18(25)26)22-16(23)10-21-17(24)12-3-7-14(8-4-12)29(20,27)28/h1-8,15H,9-10,19H2,(H,21,24)(H,22,23)(H,25,26)(H2,20,27,28)