7-[4-[(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanyl-4H-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanyl-4H-quinoline-3-carboxylic acid Openeye Name: 7-[4-[(2S)-2-amino-5-hydroxy-5-oxo-pentanoyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-hydroxy-4H-quinoline-3-carboxylic acid CAS Name: 7-[4-[(2S)-2-amino-5-hydroxy-1,5-dioxopentyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-hydroxy-4H-quinoline-3-carboxylic acid IUPAC Name: 7-[4-[(2S)-2-amino-5-hydroxy-5-oxopentanoyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-hydroxy-4H-quinoline-3-carboxylic acid Traditional Name: 7-[4-[(2S)-2-amino-5-hydroxy-5-keto-pentanoyl]piperazino]-1-ethyl-6-fluoro-4-hydroxy-4H-quinoline-3-carboxylic acid Formula: C21H27FN4O6 MolecularWeight: 450.460683

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C(CCC(=O)O)N)F)O)C(=O)O

Isomeric SMILES

CCN1C=C(C(C2=CC(=C(C=C21)N3CCN(CC3)C(=O)[C@H](CCC(=O)O)N)F)O)C(=O)O

InChI

InChI=1S/C21H27FN4O6/c1-2-24-11-13(21(31)32)19(29)12-9-14(22)17(10-16(12)24)25-5-7-26(8-6-25)20(30)15(23)3-4-18(27)28/h9-11,15,19,29H,2-8,23H2,1H3,(H,27,28)(H,31,32)/t15-,19?/m0/s1