1-[3-[4-[3-(2-carboxypyrrolidin-1-yl)-3-oxidanylidene-propyl]phenyl]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-[4-[3-(2-carboxypyrrolidin-1-yl)-3-oxidanylidene-propyl]phenyl]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-[4-[3-(2-carboxypyrrolidin-1-yl)-3-oxo-propyl]phenyl]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-[4-[3-(2-carboxy-1-pyrrolidinyl)-3-oxopropyl]phenyl]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-[4-[3-(2-carboxypyrrolidin-1-yl)-3-oxopropyl]phenyl]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-[4-[3-(2-carboxypyrrolidino)-3-keto-propyl]phenyl]propanoyl]proline Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCC2=CC=C(C=C2)CCC(=O)N3CCCC3C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CCC2=CC=C(C=C2)CCC(=O)N3CCCC3C(=O)O)C(=O)O

InChI

InChI=1S/C22H28N2O6/c25-19(23-13-1-3-17(23)21(27)28)11-9-15-5-7-16(8-6-15)10-12-20(26)24-14-2-4-18(24)22(29)30/h5-8,17-18H,1-4,9-14H2,(H,27,28)(H,29,30)