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结构：COCCCc1cc(CN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCC(C)(C)O)c1
HCID86639857

tert-Butyl (3R,4S)-3-({cyclopropyl[3-(2-hydroxy-2-methylpropoxy)-5-(3-methoxypropyl)benzyl]amino}carbonyl)-4-{4-[2-(2,6-dichloro-4-methylphenoxy)-ethoxy]phenyl}piperidine-1-carboxylate

tert-butyl (3R,4S)-3-[cyclopropyl-[[3-(2-hydroxy-2-methylpropoxy)-5-(3-methoxypropyl)phenyl]methyl]carbamoyl]-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]piperidine-1-carboxylate

C44H58Cl2N2O8813.8 g/mol
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IDENTITY

结构与身份

标准 SMILES
COCCCc1cc(CN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCC(C)(C)O)c1
InChIKey
JFNKRDNWDCOADO-AARKOHAPSA-N
分子式
C44H58Cl2N2O8
平均分子量
813.8 g/mol
单同位素质量
812.3570222

COMPUTED

结构计算性质

已同步
XLogP
8.1
极性表面积
107 Ų
氢键供体
1
氢键受体
8
可旋转键
19
重原子
56
形式电荷
0
复杂度
1,210

ALIASES

名称与别名

共 3 条
JFNKRDNWDCOADO-AARKOHAPSA-Ntert-butyl (3R,4S)-3-({cyclopropyl[3-(2-hydroxy-2-methyl-propoxy)-5-(3-methoxypropyl)benzyl]amino}carbonyl)-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-1-carboxylatetert-Butyl (3R,4S)-3-({cyclopropyl[3-(2-hydroxy-2-methylpropoxy)-5-(3-methoxypropyl)benzyl]amino}carbonyl)-4-{4-[2-(2,6-dichloro-4-methylphenoxy)-ethoxy]phenyl}piperidine-1-carboxylate

REACTIONS

参与反应

2 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂