Cabazitaxel-d6
HIT214983166
sdf文件结构编辑类似物检索
HIT ID: HIT214983166
Cas No: 1383561-29-2
分子式: C45H57NO14
分子量: 841.981
常用名: Cabazitaxel-d6
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-1-hydroxy-9,12-di(2H3)methoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
IUPAC: (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-1-hydroxy-9,12-di(2H3)methoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
SMILES: [H][C@@]12C[C@H](OC([2H])([2H])[2H])[C@@]3(C)C(=O)[C@H](OC([2H])([2H])[2H])C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1
SMILES: [H][C@@]12C[C@H](OC([2H])([2H])[2H])[C@@]3(C)C(=O)[C@H](OC([2H])([2H])[2H])C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1
InChI key: BMQGVNUXMIRLCK-YHVGWTKXSA-N
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