4-fluoranyl-1-[2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-1-ium-1,2-dicarboxylic acid

Systemtic Name: 4-fluoranyl-1-[2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-1-ium-1,2-dicarboxylic acid Openeye Name: 1-[2-(benzyloxycarbonylamino)propanoyl]-4-fluoro-pyrrolidin-1-ium-1,2-dicarboxylic acid CAS Name: 4-fluoro-1-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]pyrrolidin-1-ium-1,2-dicarboxylic acid IUPAC Name: 4-fluoro-1-[2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-1-ium-1,2-dicarboxylic acid Traditional Name: 1-[2-(benzyloxycarbonylamino)propanoyl]-4-fluoro-pyrrolidin-1-ium-1,2-dicarboxylic acid Formula: C17H20FN2O7+ MolecularWeight: 383.348303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[N+]1(CC(CC1C(=O)O)F)C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)[N+]1(CC(CC1C(=O)O)F)C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H19FN2O7/c1-10(19-16(24)27-9-11-5-3-2-4-6-11)14(21)20(17(25)26)8-12(18)7-13(20)15(22)23/h2-6,10,12-13H,7-9H2,1H3,(H2-,19,22,23,24,25,26)/p+1