(2S)-1-[(2R)-2-(2,5-dimethoxyphenyl)-3-oxidanyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2R)-2-(2,5-dimethoxyphenyl)-3-oxidanyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2R)-2-(2,5-dimethoxyphenyl)-3-hydroxy-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2R)-2-(2,5-dimethoxyphenyl)-3-hydroxy-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2R)-2-(2,5-dimethoxyphenyl)-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2R)-2-(2,5-dimethoxyphenyl)-3-hydroxy-propanoyl]proline Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(CO)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H](CO)C(=O)N2CCC[C@H]2C(=O)O

InChI

InChI=1S/C16H21NO6/c1-22-10-5-6-14(23-2)11(8-10)12(9-18)15(19)17-7-3-4-13(17)16(20)21/h5-6,8,12-13,18H,3-4,7,9H2,1-2H3,(H,20,21)/t12-,13-/m0/s1