2-azanyl-3-[(3,4,5-trimethoxyphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(3,4,5-trimethoxyphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(3,4,5-trimethoxyphenyl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(3,4,5-trimethoxyphenyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(3,4,5-trimethoxyphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(3,4,5-trimethoxybenzyl)thio]propionic acid Formula: C13H19NO5S MolecularWeight: 301.35866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CSCC(C(=O)O)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CSCC(C(=O)O)N

InChI

InChI=1S/C13H19NO5S/c1-17-10-4-8(5-11(18-2)12(10)19-3)6-20-7-9(14)13(15)16/h4-5,9H,6-7,14H2,1-3H3,(H,15,16)