(2R,4S)-4-methoxy-1-[(2-oxidanyl-6-oxidanylidene-1H-pyridin-4-yl)carbonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2R,4S)-4-methoxy-1-[(2-oxidanyl-6-oxidanylidene-1H-pyridin-4-yl)carbonyl]pyrrolidine-2-carboxylic acid Openeye Name: (2R,4S)-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-4-methoxy-pyrrolidine-2-carboxylic acid CAS Name: (2R,4S)-1-[(2-hydroxy-6-oxo-1H-pyridin-4-yl)-oxomethyl]-4-methoxy-2-pyrrolidinecarboxylic acid IUPAC Name: (2R,4S)-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid Traditional Name: (2R,4S)-1-(2-hydroxy-6-keto-1H-pyridine-4-carbonyl)-4-methoxy-proline Formula: C12H14N2O6 MolecularWeight: 282.24936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)C(=O)C2=CC(=O)NC(=C2)O)C(=O)O

Isomeric SMILES

CO[C@H]1C[C@@H](N(C1)C(=O)C2=CC(=O)NC(=C2)O)C(=O)O

InChI

InChI=1S/C12H14N2O6/c1-20-7-4-8(12(18)19)14(5-7)11(17)6-2-9(15)13-10(16)3-6/h2-3,7-8H,4-5H2,1H3,(H,18,19)(H2,13,15,16)/t7-,8+/m0/s1