(E)-2-azanyl-6-(1H-imidazol-5-yl)-2-[2-(2-methylphenyl)phenyl]carbonyl-4-methylsulfanyl-hex-5-enoic acid

Systemtic Name: (E)-2-azanyl-6-(1H-imidazol-5-yl)-2-[2-(2-methylphenyl)phenyl]carbonyl-4-methylsulfanyl-hex-5-enoic acid Openeye Name: (E)-2-amino-6-(1H-imidazol-5-yl)-4-methylsulfanyl-2-[2-(o-tolyl)benzoyl]hex-5-enoic acid CAS Name: (E)-2-amino-6-(1H-imidazol-5-yl)-2-[[2-(2-methylphenyl)phenyl]-oxomethyl]-4-(methylthio)-5-hexenoic acid IUPAC Name: (E)-2-amino-6-(1H-imidazol-5-yl)-2-[2-(2-methylphenyl)benzoyl]-4-methylsulfanylhex-5-enoic acid Traditional Name: (E)-2-amino-6-(1H-imidazol-5-yl)-4-(methylthio)-2-[2-(o-tolyl)benzoyl]hex-5-enoic acid Formula: C24H25N3O3S MolecularWeight: 435.5386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC=CC=C2C(=O)C(CC(C=CC3=CN=CN3)SC)(C(=O)O)N

Isomeric SMILES

CC1=CC=CC=C1C2=CC=CC=C2C(=O)C(CC(/C=C/C3=CN=CN3)SC)(C(=O)O)N

InChI

InChI=1S/C24H25N3O3S/c1-16-7-3-4-8-19(16)20-9-5-6-10-21(20)22(28)24(25,23(29)30)13-18(31-2)12-11-17-14-26-15-27-17/h3-12,14-15,18H,13,25H2,1-2H3,(H,26,27)(H,29,30)/b12-11+