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

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[(3-oxidanylidene-3-phenyl-2-sulfanyl-propanoyl)amino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-[(3-oxo-3-phenyl-2-sulfanyl-propanoyl)amino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[(2-mercapto-1,3-dioxo-3-phenylpropyl)amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[(3-oxo-3-phenyl-2-sulfanylpropanoyl)amino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-[(3-keto-2-mercapto-3-phenyl-propanoyl)amino]propionic acid Formula: C15H15N3O4S MolecularWeight: 333.3623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O4S/c19-12(9-4-2-1-3-5-9)13(23)14(20)18-11(15(21)22)6-10-7-16-8-17-10/h1-5,7-8,11,13,23H,6H2,(H,16,17)(H,18,20)(H,21,22)