(2S)-2-azanylpentanedioic acid; 1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate

Systemtic Name: (2S)-2-azanylpentanedioic acid; 1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate Openeye Name: (2S)-2-aminopentanedioic acid; 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylate CAS Name: (2S)-2-aminopentanedioic acid; 1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylate IUPAC Name: (2S)-2-aminopentanedioic acid; 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate Traditional Name: (2S)-2-aminoglutaric acid; 1-ethyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylate Formula: C21H26FN4O7- MolecularWeight: 465.452143

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)[O-].C(CC(=O)O)C(C(=O)O)N

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)[O-].C(CC(=O)O)[C@@H](C(=O)O)N

InChI

InChI=1S/C16H18FN3O3.C5H9NO4/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20;6-3(5(9)10)1-2-4(7)8/h7-9,18H,2-6H2,1H3,(H,22,23);3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t;3-/m.0/s1