tert-butyl (4-{(1R)-1-[(4-fluorophenyl)amino]-2-[(4-methoxybenzyl)thio]-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl}phenoxy)acetate | 858104-46-8

分子结构分类

有机化合物 - 苯类化合物 - 苯和取代衍生物

中文名称

——

中文别名

——

英文名称

tert-butyl (4-{(1R)-1-[(4-fluorophenyl)amino]-2-[(4-methoxybenzyl)thio]-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl}phenoxy)acetate

英文别名

tert-butyl (4-{(1R)-1-(4-fluoroanilino)-2-[(4-methoxybenzyl)thio]-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl}phenoxy)acetate；tert-Butyl (4-{(1R)-1-(4-fluoroanilino)-2-[(4-methoxybenzyl)thio]-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl}phenoxy)acetate；tert-butyl 2-[4-[(1R)-1-(4-fluoroanilino)-2-[(4-methoxyphenyl)methylsulfanyl]-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]phenoxy]acetate

tert-butyl (4-{(1R)-1-[(4-fluorophenyl)amino]-2-[(4-methoxybenzyl)thio]-3-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl}phenoxy)acetate化学式

CAS

858104-46-8

化学式

C₃₈H₃₉FN₂O₇S

mdl

——

分子量

686.801

InChiKey

GLRDJSODXCXKOL-FBKNANETSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

8.1
重原子数：

49
可旋转键数：

15
环数：

5.0
sp3杂化的碳原子比例：

0.29
拓扑面积：

129
氢给体数：

1
氢受体数：

10

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	(4S)-3-{[(4-methoxybenzyl)thio]acetyl}-4-phenyl-1,3-oxazolidin-2-one	858104-45-7	C₁₉H₁₉NO₄S	357.43

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	(3R,4R)-1-(4-fluorophenyl)-3-(4-methoxybenzylsulphanyl)-4-[4-(t-butoxycarbonylmethoxy)phenyl]azetidin-2-one	858104-47-9	C₂₉H₃₀FNO₅S	523.625
——	1-(4-fluorophenyl)-3-(R)-[(4-fluorobenzoyl)methylthio]-4-(R)-{4-[N-(α-(R)-{N-[2-(t-butoxy)-(1S)-(t-butoxycarbonyl)ethyl]carbamoyl}benzyl)carbamoylmethoxy]phenyl}azetidin-2-one	858104-52-6	C₄₄H₄₇F₂N₃O₈S	815.935
——	tert-butyl N-({4-[(2R,3R)-3-{[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]thio}-1-(4-fluorophenyl)-4-oxoazetidin-2-yl]phenoxy}acetyl)glycyl-N6-(tert-butoxycarbonyl)-D-lysinate	917886-89-6	C₄₃H₅₃FN₄O₁₁S	852.978
——	1-(4-fluorophenyl)-3-(R)-[(4-fluorobenzoyl)methylthio]-4-(R)-{4-[N-(α-(R)-{N-[2-(t-butoxy)-1-(S)-(carboxy)ethyl]carbamoyl}benzyl)carbamoylmethoxy]phenyl}azetidin-2-one	858104-54-8	C₄₀H₃₉F₂N₃O₈S	759.828
——	(2R)-({[4-((2R,3R)-1-(4-fluorophenyl)-3-{[2-(4-fluorophenyl)-2-oxoethyl]thio}-4-oxoazetidin-2-yl)phenoxy]acetyl}amino)(phenyl)acetic acid	858103-93-2	C₃₃H₂₆F₂N₂O₆S	616.642
——	tert-butyl N-({4-[(2R,3R)-3-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio}-1-(4-fluorophenyl)-4-oxoazetidin-2-yl]phenoxy}acetyl)glycinate	917886-97-6	C₃₂H₃₁FN₂O₈S	622.671
——	N-({4-[(2R,3R)-3-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]thio}-1-(4-fluorophenyl)-4-oxoazetidin-2-yl]phenoxy}acetyl)glycyl-3-methyl-D-valine	917886-77-2	C₃₅H₃₈FN₃O₉S	695.766
——	N-{[4-((2R,3R)-1-(4-fluorophenyl)-3-{[2-(4-fluorophenyl)-2-hydroxyethyl]thio}-4-oxoazetidin-2-yl)phenoxy]acetyl}glycyl-3-cyclohexyl-D-alanine	858103-29-4	C₃₆H₃₉F₂N₃O₇S	695.784
——	N-{[4-((2R,3R)-1-(4-fluorophenyl)-3-{[(2RS)-2-(4-fluorophenyl)-2-hydroxyethyl]thio}-4-oxoazetidin-2-yl)phenoxy]acetyl}glycyl-3-methyl-D-valine	858103-63-6	C₃₃H₃₅F₂N₃O₇S	655.72
——	N-{[4-((2R,3R)-1-(4-fluorophenyl)-3-{[2-(4-fluorophenyl)-2-oxoethyl]thio}-4-oxoazetidin-2-yl)phenoxy]acetyl}glycyl-L-asparagine	858103-97-6	C₃₁H₂₈F₂N₄O₈S	654.648
——	N-({4-[(2R,3R)-1-(4-fluorophenyl)-3-{[(2RS)-2-(4-fluorophenyl)-2-hydroxyethyl]thio}-4-oxoazetidin-2-yl]phenoxy}acetyl)glycyl-D-valine	858103-14-7	C₃₂H₃₃F₂N₃O₇S	641.693
——	N-{[4-((2R,3R)-1-(4-fluorophenyl)-3-{[2-(4-fluorophenyl)-2-oxoethyl]thio}-4-oxoazetidin-2-yl)phenoxy]acetyl}glycyl-D-valine	858103-95-4	C₃₂H₃₁F₂N₃O₇S	639.677
——	2-[[2-[[2-[4-[(2R,3R)-1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxoazetidin-2-yl]phenoxy]acetyl]amino]acetyl]amino]-4,4-dimethylpentanoic acid	1033706-45-4	C₃₄H₃₅F₂N₃O₇S	667.731
——	N-{[4-((2R,3R)-1-(4-fluorophenyl)-3-{[2-(4-fluorophenyl)-2-hydroxyethyl]thio}-4-oxoazetidin-2-yl)phenoxy]acetyl}glycyl-3-(trimethylsilyl)alanine	——	C₃₃H₃₇F₂N₃O₇SSi	685.821
——	N-({4-[(2R,3R)-3-{[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]thio}-1-(4-fluorophenyl)-4-oxoazetidin-2-yl]phenoxy}acetyl)glycyl-D-valine	——	C₃₃H₃₄FN₃O₉S	667.712
——	{4-[(2R,3R)-3-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio}-1-(4-fluorophenyl)-4-oxoazetidin-2-yl]phenoxy}acetic acid	917577-58-3	C₂₇H₂₂FNO₇S	523.539
——	{4-[(2R,3R)-3-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio}-1-(4-fluorophenyl)-4-oxoazetidin-2-yl]phenoxy}acetic acid	917886-80-7	C₂₆H₂₀FNO₇S	509.512
——	N-{[4-((2R,3R)-1-(4-fluorophenyl)-3-{[2-(4-fluorophenyl)-2-oxoethyl]thio}-4-oxoazetidin-2-yl)phenoxy]acetyl}-D-valine	858103-94-3	C₃₀H₂₈F₂N₂O₆S	582.625
——	N-{[4-((2R,3R)-1-(4-fluorophenyl)-3-{[2-(4-fluorophenyl)-2-oxoethyl]thio}-4-oxoazetidin-2-yl)phenoxy]acetyl}-D-alanine	858103-90-9	C₂₈H₂₄F₂N₂O₆S	554.571
——	N-{[4-((2R,3R)-1-(4-fluorophenyl)-3-{[2-(4-fluorophenyl)-2-oxoethyl]thio}-4-oxoazetidin-2-yl)phenoxy]acetyl}-L-alanine	858104-02-6	C₂₈H₂₄F₂N₂O₆S	554.571