1-[2-[3-carboxy-5-[2-(2-carboxypyrrolidin-1-yl)-2-oxidanylidene-ethoxy]phenoxy]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[3-carboxy-5-[2-(2-carboxypyrrolidin-1-yl)-2-oxidanylidene-ethoxy]phenoxy]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[3-carboxy-5-[2-(2-carboxypyrrolidin-1-yl)-2-oxo-ethoxy]phenoxy]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[3-carboxy-5-[2-(2-carboxy-1-pyrrolidinyl)-2-oxoethoxy]phenoxy]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[3-carboxy-5-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethoxy]phenoxy]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[3-carboxy-5-[2-(2-carboxypyrrolidino)-2-keto-ethoxy]phenoxy]acetyl]proline Formula: C21H24N2O10 MolecularWeight: 464.42266

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)COC2=CC(=CC(=C2)C(=O)O)OCC(=O)N3CCCC3C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)COC2=CC(=CC(=C2)C(=O)O)OCC(=O)N3CCCC3C(=O)O)C(=O)O

InChI

InChI=1S/C21H24N2O10/c24-17(22-5-1-3-15(22)20(28)29)10-32-13-7-12(19(26)27)8-14(9-13)33-11-18(25)23-6-2-4-16(23)21(30)31/h7-9,15-16H,1-6,10-11H2,(H,26,27)(H,28,29)(H,30,31)