Alatrofloxacin Mesylate
HIT212714577
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HIT ID: HIT212714577
Cas No: 157605-25-9
分子式: C27H29F3N6O8S
分子量: 654.62
常用名: Alatrofloxacin Mesylate
氢键受体数 (HBA): 9
氢键供体数 (HBD): 4
LogP: -0.8336422
IUPAC: 7-[(1R,5S)-6-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid
IUPAC: 7-[(1R,5S)-6-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid
SMILES: CS(O)(=O)=O.[H][C@@]12CN(C[C@]1([H])C2NC(=O)[C@H](C)NC(=O)[C@H](C)N)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F
SMILES: CS(O)(=O)=O.[H][C@@]12CN(C[C@]1([H])C2NC(=O)[C@H](C)NC(=O)[C@H](C)N)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F
InChI key: CYETUYYEVKNSHZ-RSUMCGCKSA-N
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