(2R)-2-azanyl-3-[(3,4-dimethoxyphenyl)methylsulfanyl]propanoic acid

Systemtic Name: (2R)-2-azanyl-3-[(3,4-dimethoxyphenyl)methylsulfanyl]propanoic acid Openeye Name: (2R)-2-amino-3-[(3,4-dimethoxyphenyl)methylsulfanyl]propanoic acid CAS Name: (2R)-2-amino-3-[(3,4-dimethoxyphenyl)methylthio]propanoic acid IUPAC Name: (2R)-2-amino-3-[(3,4-dimethoxyphenyl)methylsulfanyl]propanoic acid Traditional Name: (2R)-2-amino-3-(veratrylthio)propionic acid Formula: C12H17NO4S MolecularWeight: 271.33268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(C(=O)O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CSC[C@@H](C(=O)O)N)OC

InChI

InChI=1S/C12H17NO4S/c1-16-10-4-3-8(5-11(10)17-2)6-18-7-9(13)12(14)15/h3-5,9H,6-7,13H2,1-2H3,(H,14,15)/t9-/m0/s1