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

Systemtic Name: 2-azanyl-2-[4-(1H-imidazol-5-ylmethylamino)-2-phenyl-phenyl]carbonyl-4-methylsulfanyl-butanoic acid Openeye Name: 2-amino-2-[4-(1H-imidazol-5-ylmethylamino)-2-phenyl-benzoyl]-4-methylsulfanyl-butanoic acid CAS Name: 2-amino-2-[[4-(1H-imidazol-5-ylmethylamino)-2-phenylphenyl]-oxomethyl]-4-(methylthio)butanoic acid IUPAC Name: 2-amino-2-[4-(1H-imidazol-5-ylmethylamino)-2-phenylbenzoyl]-4-methylsulfanylbutanoic acid Traditional Name: 2-amino-2-[4-(1H-imidazol-5-ylmethylamino)-2-phenyl-benzoyl]-4-(methylthio)butyric acid Formula: C22H24N4O3S MolecularWeight: 424.51596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)C1=C(C=C(C=C1)NCC2=CN=CN2)C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CSCCC(C(=O)C1=C(C=C(C=C1)NCC2=CN=CN2)C3=CC=CC=C3)(C(=O)O)N

InChI

InChI=1S/C22H24N4O3S/c1-30-10-9-22(23,21(28)29)20(27)18-8-7-16(25-13-17-12-24-14-26-17)11-19(18)15-5-3-2-4-6-15/h2-8,11-12,14,25H,9-10,13,23H2,1H3,(H,24,26)(H,28,29)