(2S)-2-[[3-(1H-imidazol-5-ylmethylamino)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[3-(1H-imidazol-5-ylmethylamino)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[3-(1H-imidazol-5-ylmethylamino)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[[3-(1H-imidazol-5-ylmethylamino)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[3-(1H-imidazol-5-ylmethylamino)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[3-(1H-imidazol-5-ylmethylamino)benzoyl]amino]-4-(methylthio)butyric acid Formula: C16H20N4O3S MolecularWeight: 348.42

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC(=CC=C1)NCC2=CN=CN2

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)C1=CC(=CC=C1)NCC2=CN=CN2

InChI

InChI=1S/C16H20N4O3S/c1-24-6-5-14(16(22)23)20-15(21)11-3-2-4-12(7-11)18-9-13-8-17-10-19-13/h2-4,7-8,10,14,18H,5-6,9H2,1H3,(H,17,19)(H,20,21)(H,22,23)/t14-/m0/s1