2-[[4-(3-imidazol-1-ylpropylsulfamoyl)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-(3-imidazol-1-ylpropylsulfamoyl)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-(3-imidazol-1-ylpropylsulfamoyl)-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[3-(1-imidazolyl)propylsulfamoyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(3-imidazol-1-ylpropylsulfamoyl)-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-(3-imidazol-1-ylpropylsulfamoyl)-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C24H28N4O5S2 MolecularWeight: 516.63292

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)S(=O)(=O)NCCCN2C=CN=C2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)S(=O)(=O)NCCCN2C=CN=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H28N4O5S2/c1-34-15-10-22(24(30)31)27-23(29)20-9-8-19(16-21(20)18-6-3-2-4-7-18)35(32,33)26-11-5-13-28-14-12-25-17-28/h2-4,6-9,12,14,16-17,22,26H,5,10-11,13,15H2,1H3,(H,27,29)(H,30,31)