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

Systemtic Name: (2R)-3-(1H-imidazol-5-yl)-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoic acid Openeye Name: (2R)-3-(1H-imidazol-5-yl)-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoic acid CAS Name: (2R)-3-(1H-imidazol-5-yl)-2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: (2R)-3-(1H-imidazol-5-yl)-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoic acid Traditional Name: (2R)-3-(1H-imidazol-5-yl)-2-[(4-sulfamoylbenzyl)thiocarbamoylamino]propionic acid Formula: C14H17N5O4S2 MolecularWeight: 383.44588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NC(CC2=CN=CN2)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)N[C@H](CC2=CN=CN2)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C14H17N5O4S2/c15-25(22,23)11-3-1-9(2-4-11)6-17-14(24)19-12(13(20)21)5-10-7-16-8-18-10/h1-4,7-8,12H,5-6H2,(H,16,18)(H,20,21)(H2,15,22,23)(H2,17,19,24)/t12-/m1/s1