(2R)-2-acetamido-3-(2-oxidanyl-1-phenyl-ethyl)sulfanyl-propanoic acid

Systemtic Name: (2R)-2-acetamido-3-(2-oxidanyl-1-phenyl-ethyl)sulfanyl-propanoic acid Openeye Name: (2R)-2-acetamido-3-(2-hydroxy-1-phenyl-ethyl)sulfanyl-propanoic acid CAS Name: (2R)-2-acetamido-3-[(2-hydroxy-1-phenylethyl)thio]propanoic acid IUPAC Name: (2R)-2-acetamido-3-(2-hydroxy-1-phenylethyl)sulfanylpropanoic acid Traditional Name: (2R)-2-acetamido-3-[(2-hydroxy-1-phenyl-ethyl)thio]propionic acid Formula: C13H17NO4S MolecularWeight: 289.299309

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(CO)C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CSC(CO)[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1)C(=O)O

InChI

InChI=1S/C13H17NO4S/c1-9(16)14-11(13(17)18)8-19-12(7-15)10-5-3-2-4-6-10/h2-6,11-12,15H,7-8H2,1H3,(H,14,16)(H,17,18)/t11-,12?/m0/s1/i2+1,3+1,4+1,5+1,6+1,10+1