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

Systemtic Name: (2R)-3-(1H-imidazol-5-yl)-2-[(4-sulfamoylphenyl)carbamothioylamino]propanoic acid Openeye Name: (2R)-3-(1H-imidazol-5-yl)-2-[(4-sulfamoylphenyl)carbamothioylamino]propanoic acid CAS Name: (2R)-3-(1H-imidazol-5-yl)-2-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: (2R)-3-(1H-imidazol-5-yl)-2-[(4-sulfamoylphenyl)carbamothioylamino]propanoic acid Traditional Name: (2R)-3-(1H-imidazol-5-yl)-2-[(4-sulfamoylphenyl)thiocarbamoylamino]propionic acid Formula: C13H15N5O4S2 MolecularWeight: 369.4193

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC(CC2=CN=CN2)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC(=S)N[C@H](CC2=CN=CN2)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C13H15N5O4S2/c14-24(21,22)10-3-1-8(2-4-10)17-13(23)18-11(12(19)20)5-9-6-15-7-16-9/h1-4,6-7,11H,5H2,(H,15,16)(H,19,20)(H2,14,21,22)(H2,17,18,23)/t11-/m1/s1