(2R)-2-(carboxycarbonylamino)-3-(4-methylsulfonyloxyphenyl)propanoic acid

Systemtic Name: (2R)-2-(carboxycarbonylamino)-3-(4-methylsulfonyloxyphenyl)propanoic acid Openeye Name: (2R)-3-(4-methylsulfonyloxyphenyl)-2-(oxaloamino)propanoic acid CAS Name: (2R)-3-(4-methylsulfonyloxyphenyl)-2-(oxaloamino)propanoic acid IUPAC Name: (2R)-3-(4-methylsulfonyloxyphenyl)-2-(oxaloamino)propanoic acid Traditional Name: (2R)-3-(4-methylsulfonyloxyphenyl)-2-(oxaloamino)propionic acid Formula: C12H13NO8S MolecularWeight: 331.29852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(=O)O

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)C(=O)O

InChI

InChI=1S/C12H13NO8S/c1-22(19,20)21-8-4-2-7(3-5-8)6-9(11(15)16)13-10(14)12(17)18/h2-5,9H,6H2,1H3,(H,13,14)(H,15,16)(H,17,18)/t9-/m1/s1