methyl 2-[[4-(1H-imidazol-5-ylmethylamino)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-(1H-imidazol-5-ylmethylamino)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-(1H-imidazol-5-ylmethylamino)-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-(1H-imidazol-5-ylmethylamino)-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-(1H-imidazol-5-ylmethylamino)-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-(1H-imidazol-5-ylmethylamino)-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C23H26N4O3S MolecularWeight: 438.54254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NCC2=CN=CN2)C3=CC=CC=C3

InChI

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