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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CNCC2=CN=CN2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CNCC2=CN=CN2)C3=CC=CC=C3

InChI

InChI=1S/C23H26N4O3S/c1-31-10-9-21(23(29)30)27-22(28)19-8-7-16(12-24-13-18-14-25-15-26-18)11-20(19)17-5-3-2-4-6-17/h2-8,11,14-15,21,24H,9-10,12-13H2,1H3,(H,25,26)(H,27,28)(H,29,30)