Cabazitaxel
HIT212034146
sdf文件结构编辑类似物检索
HIT ID: HIT212034146
Cas No: 183133-96-2
分子式: C45H57NO14
分子量: 835.944
常用名: Cabazitaxel
氢键受体数 (HBA): 10
氢键供体数 (HBD): 3
LogP: 4.203044
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-dimethoxy-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-dimethoxy-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: CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](OC)C(=O)[C@]12C)C3(C)C |t:51|
SMILES: CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](OC)C(=O)[C@]12C)C3(C)C |t:51|
InChI key: BMQGVNUXMIRLCK-OAGWZNDDSA-N
共显示4个结果
供应商规格单价货期纯度操作
TargetMol
SC
2551-3天 购物车
BIONET-Key Organics
BB
35863-5周 购物车
Mcule
SC
1784-5周 购物车
Mcule
SC
3154-5周 购物车
TargetMol | Target Loading
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