HIT ID: HIT212037272
Cas No: 195733-43-8
分子式: C29H39ClN2O6
分子量: 547.09
常用名: Atrasentan hydrochloride
氢键受体数 (HBA): 7
氢键供体数 (HBD): 1
LogP: 1.761634
IUPAC: (2R,3R,4S)-4-(2H-1,3-benzodioxol-5-yl)-1-[(dibutylcarbamoyl)methyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid hydrochloride
IUPAC: (2R,3R,4S)-4-(2H-1,3-benzodioxol-5-yl)-1-[(dibutylcarbamoyl)methyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid hydrochloride
SMILES: Cl.CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
SMILES: Cl.CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
InChI key: IJFUJIFSUKPWCZ-SQMFDTLJSA-N
