(2R)-2-azanyl-3-(1,3-benzodioxol-5-ylmethylsulfanyl)propanoic acid

Systemtic Name: (2R)-2-azanyl-3-(1,3-benzodioxol-5-ylmethylsulfanyl)propanoic acid Openeye Name: (2R)-2-amino-3-(1,3-benzodioxol-5-ylmethylsulfanyl)propanoic acid CAS Name: (2R)-2-amino-3-(1,3-benzodioxol-5-ylmethylthio)propanoic acid IUPAC Name: (2R)-2-amino-3-(1,3-benzodioxol-5-ylmethylsulfanyl)propanoic acid Traditional Name: (2R)-2-amino-3-(piperonylthio)propionic acid Formula: C11H13NO4S MolecularWeight: 255.29022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSCC(C(=O)O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC[C@@H](C(=O)O)N

InChI

InChI=1S/C11H13NO4S/c12-8(11(13)14)5-17-4-7-1-2-9-10(3-7)16-6-15-9/h1-3,8H,4-6,12H2,(H,13,14)/t8-/m0/s1