(2S,4R)-1-(3-methoxy-2-oxidanyl-phenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-1-(3-methoxy-2-oxidanyl-phenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-4-hydroxy-1-(2-hydroxy-3-methoxy-benzoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-4-hydroxy-1-[(2-hydroxy-3-methoxyphenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-4-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-4-hydroxy-1-(2-hydroxy-3-methoxy-benzoyl)proline Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C(=O)N2CC(CC2C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1O)C(=O)N2C[C@@H](C[C@H]2C(=O)O)O

InChI

InChI=1S/C13H15NO6/c1-20-10-4-2-3-8(11(10)16)12(17)14-6-7(15)5-9(14)13(18)19/h2-4,7,9,15-16H,5-6H2,1H3,(H,18,19)/t7-,9+/m1/s1