AL 6598
HIT212875845
sdf文件结构编辑类似物检索
HIT ID: HIT212875845
Cas No: 170291-06-2
分子式: C23H39ClO5
分子量: 431.01
常用名: AL 6598
氢键受体数 (HBA): 4
氢键供体数 (HBD): 2
LogP: 3.819059
IUPAC: propan-2-yl 2-{[(2Z)-4-[(1R,2R,3R,5R)-5-chloro-2-[(3R)-3-cyclohexyl-3-hydroxypropyl]-3-hydroxycyclopentyl]but-2-en-1-yl]oxy}acetate
IUPAC: propan-2-yl 2-{[(2Z)-4-[(1R,2R,3R,5R)-5-chloro-2-[(3R)-3-cyclohexyl-3-hydroxypropyl]-3-hydroxycyclopentyl]but-2-en-1-yl]oxy}acetate
SMILES: CC(C)OC(=O)COC\C=C/C[C@H]1[C@H](Cl)C[C@@H](O)[C@@H]1CC[C@@H](O)C1CCCCC1
SMILES: CC(C)OC(=O)COC\C=C/C[C@H]1[C@H](Cl)C[C@@H](O)[C@@H]1CC[C@@H](O)C1CCCCC1
InChI key: GXLUEHGRKZQLOO-QMAHXAMHSA-N
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