(2S)-3-(1H-imidazol-5-yl)-2-[(4-sulfamoylphenyl)carbonylamino]propanoic acid

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-[(4-sulfamoylphenyl)carbonylamino]propanoic acid Openeye Name: (2S)-3-(1H-imidazol-5-yl)-2-[(4-sulfamoylbenzoyl)amino]propanoic acid CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[[oxo-(4-sulfamoylphenyl)methyl]amino]propanoic acid IUPAC Name: (2S)-3-(1H-imidazol-5-yl)-2-[(4-sulfamoylbenzoyl)amino]propanoic acid Traditional Name: (2S)-3-(1H-imidazol-5-yl)-2-[(4-sulfamoylbenzoyl)amino]propionic acid Formula: C13H14N4O5S MolecularWeight: 338.33906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CC2=CN=CN2)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)N[C@@H](CC2=CN=CN2)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C13H14N4O5S/c14-23(21,22)10-3-1-8(2-4-10)12(18)17-11(13(19)20)5-9-6-15-7-16-9/h1-4,6-7,11H,5H2,(H,15,16)(H,17,18)(H,19,20)(H2,14,21,22)/t11-/m0/s1