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

Systemtic Name: 2-[[4-(3-imidazol-1-ylpropylsulfamoyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-(3-imidazol-1-ylpropylsulfamoyl)-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[3-(1-imidazolyl)propylsulfamoyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(3-imidazol-1-ylpropylsulfamoyl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-(3-imidazol-1-ylpropylsulfamoyl)-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C25H30N4O5S2 MolecularWeight: 530.6595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)S(=O)(=O)NCCCN3C=CN=C3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)S(=O)(=O)NCCCN3C=CN=C3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C25H30N4O5S2/c1-18-6-3-4-7-20(18)22-16-19(36(33,34)27-11-5-13-29-14-12-26-17-29)8-9-21(22)24(30)28-23(25(31)32)10-15-35-2/h3-4,6-9,12,14,16-17,23,27H,5,10-11,13,15H2,1-2H3,(H,28,30)(H,31,32)