3-(1H-imidazol-5-yl)-2-[(4-oxidanylidene-4-phenyl-2-sulfanyl-butanoyl)amino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[(4-oxidanylidene-4-phenyl-2-sulfanyl-butanoyl)amino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-[(4-oxo-4-phenyl-2-sulfanyl-butanoyl)amino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[(2-mercapto-1,4-dioxo-4-phenylbutyl)amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[(4-oxo-4-phenyl-2-sulfanylbutanoyl)amino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-[(4-keto-2-mercapto-4-phenyl-butanoyl)amino]propionic acid Formula: C16H17N3O4S MolecularWeight: 347.38888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC(C(=O)NC(CC2=CN=CN2)C(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC(C(=O)NC(CC2=CN=CN2)C(=O)O)S

InChI

InChI=1S/C16H17N3O4S/c20-13(10-4-2-1-3-5-10)7-14(24)15(21)19-12(16(22)23)6-11-8-17-9-18-11/h1-5,8-9,12,14,24H,6-7H2,(H,17,18)(H,19,21)(H,22,23)