2-[[4-(1H-imidazol-5-ylmethylamino)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-(1H-imidazol-5-ylmethylamino)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-(1H-imidazol-5-ylmethylamino)-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-(1H-imidazol-5-ylmethylamino)-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(1H-imidazol-5-ylmethylamino)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-(1H-imidazol-5-ylmethylamino)-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C23H26N4O3S MolecularWeight: 438.54254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)NCC3=CN=CN3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)NCC3=CN=CN3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C23H26N4O3S/c1-15-5-3-4-6-18(15)20-11-16(25-13-17-12-24-14-26-17)7-8-19(20)22(28)27-21(23(29)30)9-10-31-2/h3-8,11-12,14,21,25H,9-10,13H2,1-2H3,(H,24,26)(H,27,28)(H,29,30)