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

Systemtic Name: 2-[[3-(1H-imidazol-5-yl)-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-(1H-imidazol-5-yl)-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[3-(1H-imidazol-5-yl)-1-oxo-2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]propyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-(1H-imidazol-5-yl)-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[3-(1H-imidazol-5-yl)-2-[(4-sulfamoylbenzyl)thiocarbamoylamino]propanoyl]amino]-3-phenyl-propionic acid Formula: C23H26N6O5S2 MolecularWeight: 530.61974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC2=CN=CN2)NC(=S)NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC2=CN=CN2)NC(=S)NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C23H26N6O5S2/c24-36(33,34)18-8-6-16(7-9-18)12-26-23(35)29-19(11-17-13-25-14-27-17)21(30)28-20(22(31)32)10-15-4-2-1-3-5-15/h1-9,13-14,19-20H,10-12H2,(H,25,27)(H,28,30)(H,31,32)(H2,24,33,34)(H2,26,29,35)