Alalevonadifloxacin
(12S)-8-[4-[(2S)-2-aminopropanoyl]oxypiperidin-1-yl]-7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
Molecular Identity
Alalevonadifloxacin
(12S)-8-[4-[(2S)-2-aminopropanoyl]oxypiperidin-1-yl]-7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
PubChem CID: 16734914
2D Structure
Properties
C22H26FN3O5
Molecular Formula
431.50
Molecular Weight
g/mol
431.1856
Exact Mass
Da
0.7
XLogP
Drug-like (Lipinski: < 5)
113
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
781
Complexity
SMILES
Canonical SMILES
SMILES: CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2N4CCC(CC4)OC(=O)C(C)N)F)C(=O)OIsomeric SMILES
SMILES: C[C@H]1CCC2=C3N1C=C(C(=O)C3=CC(=C2N4CCC(CC4)OC(=O)[C@H](C)N)F)C(=O)OSynonyms(20)
Alalevonadifloxacin706809-20-357B7E1D1TGL-Alanine, 1-((5S)-2-carboxy-9-fluoro-6,7-dihydro-5-methyl-1-oxo-1H,5H-benzo(ij)quinolizin-8-yl)-4-piperidinyl esterL-Alanine, 1-((5S)-2-carboxy-9-fluoro-6,7-dihydro-5-methyl-1-oxo-1H,5H-benzo(ij)quinolizin-8-yl)-4-piperidinyl ester, (-)-alalevonadifloxacinealalevonadifloxacinoalalevonadifloxacinumRefChem:110474Alalevonadifloxacin [INN]Alalevonadifloxacin [WHO-DD]WCK 2349(12S)-8-[4-[(2S)-2-aminopropanoyl]oxypiperidin-1-yl]-7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid(S)-8-(4-(((S)-2-Aminopropanoyl)oxy)piperidin-1-yl)-9-fluoro-5-methyl-1-oxo-1,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxylic acidWCK-2349
Data from PubChem (NCBI)
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