7-[4-[(2S)-2-azanyl-4-methyl-pentanoyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-2,3-dihydroquinoline-3-carboxylic acid

Systemtic Name: 7-[4-[(2S)-2-azanyl-4-methyl-pentanoyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-2,3-dihydroquinoline-3-carboxylic acid Openeye Name: 7-[4-[(2S)-2-amino-4-methyl-pentanoyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-2,3-dihydroquinoline-3-carboxylic acid CAS Name: 7-[4-[(2S)-2-amino-4-methyl-1-oxopentyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-2,3-dihydroquinoline-3-carboxylic acid IUPAC Name: 7-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-2,3-dihydroquinoline-3-carboxylic acid Traditional Name: 7-[4-[(2S)-2-amino-4-methyl-pentanoyl]piperazino]-1-ethyl-6-fluoro-4-keto-2,3-dihydroquinoline-3-carboxylic acid Formula: C22H31FN4O4 MolecularWeight: 434.504343

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C(CC(C)C)N)F)C(=O)O

Isomeric SMILES

CCN1CC(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)[C@H](CC(C)C)N)F)C(=O)O

InChI

InChI=1S/C22H31FN4O4/c1-4-25-12-15(22(30)31)20(28)14-10-16(23)19(11-18(14)25)26-5-7-27(8-6-26)21(29)17(24)9-13(2)3/h10-11,13,15,17H,4-9,12,24H2,1-3H3,(H,30,31)/t15?,17-/m0/s1