Fosravuconazole monolysine
HIT212716160
sdf文件结构编辑类似物检索
HIT ID: HIT212716160
Cas No: 914361-44-7
分子式: C29H34F2N7O7PS
分子量: 693.66
常用名: Fosravuconazole monolysine
氢键受体数 (HBA): 8
氢键供体数 (HBD): 2
LogP: 2.7592256
IUPAC: (2S)-2,6-diaminohexanoic acid; ({[(2R,3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-yl]oxy}methoxy)phosphonic acid
IUPAC: (2S)-2,6-diaminohexanoic acid; ({[(2R,3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-yl]oxy}methoxy)phosphonic acid
SMILES: NCCCC[C@H](N)C(O)=O.C[C@@H](c1nc(cs1)-c1ccc(cc1)C#N)[C@@](Cn1cncn1)(OCOP(O)(O)=O)c1ccc(F)cc1F
SMILES: NCCCC[C@H](N)C(O)=O.C[C@@H](c1nc(cs1)-c1ccc(cc1)C#N)[C@@](Cn1cncn1)(OCOP(O)(O)=O)c1ccc(F)cc1F
InChI key: GTJFQIOLLGYOSL-SWQYEYERSA-N
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