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2-Methyl-2-propanyl (3S)-3-({N-[{[2-(2-methyl-2-propanyl)phenyl]a mino}(oxo)acetyl]-L-alanyl}amino)-4-oxo-5-(2,3,5,6-tetrafluorophe noxy)pentanoate

更新时间:2026-07-15 19:37:39

2-Methyl-2-propanyl (3S)-3-({N-[{[2-(2-methyl-2-propanyl)phenyl]a mino}(oxo)acetyl]-L-alanyl}amino)-4-oxo-5-(2,3,5,6-tetrafluorophe noxy)pentanoate结构式
2-Methyl-2-propanyl (3S)-3-({N-[{[2-(2-methyl-2-propanyl)phenyl]a mino}(oxo)acetyl]-L-alanyl}amino)-4-oxo-5-(2,3,5,6-tetrafluorophe noxy)pentanoate结构式
品牌特惠专场
常用名 2-Methyl-2-propanyl (3S)-3-({N-[{[2-(2-methyl-2-propanyl)phenyl]a mino}(oxo)acetyl]-L-alanyl}amino)-4-oxo-5-(2,3,5,6-tetrafluorophe noxy)pentanoate 英文名 2-Methyl-2-propanyl (3S)-3-({N-[{[2-(2-methyl-2-propanyl)phenyl]a mino}(oxo)acetyl]-L-alanyl}amino)-4-oxo-5-(2,3,5,6-tetrafluorophe noxy)pentanoate
CAS号 254750-83-9 分子量 625.60800
密度 N/A 沸点 N/A
分子式 C30H35F4N3O7 熔点 N/A
MSDS N/A 闪点 N/A

 名称

本表展示该化学物质的中文名称、英文系统名、各类中文与英文别名信息。

英文名 2-Methyl-2-propanyl (3S)-3-({N-[{[2-(2-methyl-2-propanyl)phenyl]a mino}(oxo)acetyl]-L-alanyl}amino)-4-oxo-5-(2,3,5,6-tetrafluorophe noxy)pentanoate
英文别名 更多

 物理化学性质

本表包含该物质理化参数,如熔点、沸点、密度、溶解度、旋光性等理化指标,无数据项标记为N/A。

分子式 C30H35F4N3O7
分子量 625.60800
精确质量 625.24100
PSA 143.39000
LogP 5.15260
InChIKey RIUVUYDKONHLBC-YWZLYKJASA-N
SMILES CC(NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)NC(CC(=O)OC(C)(C)C)C(=O)COc1c(F)c(F)cc(F)c1F

 合成线路

本表提供该化合物公开报道的合成路线、反应条件、反应物与产物参考信息。

~77%

2-Methyl-2-propanyl (3S)-3-({N-[{[2-(2-methyl-2-propanyl)phenyl]a mino}(oxo)acetyl]-L-alanyl}amino)-4-oxo-5-(2,3,5,6-tetrafluorophe noxy)pentanoate结构式

2-Methyl-2-prop...

254750-83-9

查看详情
文献:Linton, Steven D.; Aja, Teresa; Armstrong, Robert A.; Bai, Xu; Chen, Long-Shiuh; Chen, Ning; Ching, Brett; Contreras, Patricia; Diaz, Jose-Luis; Fisher, Craig D.; Fritz, Lawrence C.; Gladstone, Patricia; Groessl, Todd; Gu, Xin; Herrmann, Julia; Hirakawa, Brad P.; Hoglen, Niel C.; Jahangiri, Kathy G.; Kalish, Vincent J.; Karanewsky, Donald S.; Kodandapani, Lalitha; Krebs, Joseph; McQuiston, Jeff; Meduna, Steven P.; Nalley, Kip; Robinson, Edward D.; Sayers, Robert O.; Sebring, Kristen; Spada, Alfred P.; Ternansky, Robert J.; Tomaselli, Kevin J.; Ullman, Brett R.; Valentino, Karen L.; Weeks, Suzanne; Winn, David; Wu, Joe C.; Yeo, Pauline; Zhang, Cheng-Zhi Journal of Medicinal Chemistry, 2005 , vol. 48, # 22 p. 6779 - 6782

~%

2-Methyl-2-propanyl (3S)-3-({N-[{[2-(2-methyl-2-propanyl)phenyl]a mino}(oxo)acetyl]-L-alanyl}amino)-4-oxo-5-(2,3,5,6-tetrafluorophe noxy)pentanoate结构式

2-Methyl-2-prop...

254750-83-9

查看详情
文献:Linton, Steven D.; Aja, Teresa; Armstrong, Robert A.; Bai, Xu; Chen, Long-Shiuh; Chen, Ning; Ching, Brett; Contreras, Patricia; Diaz, Jose-Luis; Fisher, Craig D.; Fritz, Lawrence C.; Gladstone, Patricia; Groessl, Todd; Gu, Xin; Herrmann, Julia; Hirakawa, Brad P.; Hoglen, Niel C.; Jahangiri, Kathy G.; Kalish, Vincent J.; Karanewsky, Donald S.; Kodandapani, Lalitha; Krebs, Joseph; McQuiston, Jeff; Meduna, Steven P.; Nalley, Kip; Robinson, Edward D.; Sayers, Robert O.; Sebring, Kristen; Spada, Alfred P.; Ternansky, Robert J.; Tomaselli, Kevin J.; Ullman, Brett R.; Valentino, Karen L.; Weeks, Suzanne; Winn, David; Wu, Joe C.; Yeo, Pauline; Zhang, Cheng-Zhi Journal of Medicinal Chemistry, 2005 , vol. 48, # 22 p. 6779 - 6782

~%

2-Methyl-2-propanyl (3S)-3-({N-[{[2-(2-methyl-2-propanyl)phenyl]a mino}(oxo)acetyl]-L-alanyl}amino)-4-oxo-5-(2,3,5,6-tetrafluorophe noxy)pentanoate结构式

2-Methyl-2-prop...

254750-83-9

查看详情
文献:Linton, Steven D.; Aja, Teresa; Armstrong, Robert A.; Bai, Xu; Chen, Long-Shiuh; Chen, Ning; Ching, Brett; Contreras, Patricia; Diaz, Jose-Luis; Fisher, Craig D.; Fritz, Lawrence C.; Gladstone, Patricia; Groessl, Todd; Gu, Xin; Herrmann, Julia; Hirakawa, Brad P.; Hoglen, Niel C.; Jahangiri, Kathy G.; Kalish, Vincent J.; Karanewsky, Donald S.; Kodandapani, Lalitha; Krebs, Joseph; McQuiston, Jeff; Meduna, Steven P.; Nalley, Kip; Robinson, Edward D.; Sayers, Robert O.; Sebring, Kristen; Spada, Alfred P.; Ternansky, Robert J.; Tomaselli, Kevin J.; Ullman, Brett R.; Valentino, Karen L.; Weeks, Suzanne; Winn, David; Wu, Joe C.; Yeo, Pauline; Zhang, Cheng-Zhi Journal of Medicinal Chemistry, 2005 , vol. 48, # 22 p. 6779 - 6782

~%

2-Methyl-2-propanyl (3S)-3-({N-[{[2-(2-methyl-2-propanyl)phenyl]a mino}(oxo)acetyl]-L-alanyl}amino)-4-oxo-5-(2,3,5,6-tetrafluorophe noxy)pentanoate结构式

2-Methyl-2-prop...

254750-83-9

查看详情
文献:Linton, Steven D.; Aja, Teresa; Armstrong, Robert A.; Bai, Xu; Chen, Long-Shiuh; Chen, Ning; Ching, Brett; Contreras, Patricia; Diaz, Jose-Luis; Fisher, Craig D.; Fritz, Lawrence C.; Gladstone, Patricia; Groessl, Todd; Gu, Xin; Herrmann, Julia; Hirakawa, Brad P.; Hoglen, Niel C.; Jahangiri, Kathy G.; Kalish, Vincent J.; Karanewsky, Donald S.; Kodandapani, Lalitha; Krebs, Joseph; McQuiston, Jeff; Meduna, Steven P.; Nalley, Kip; Robinson, Edward D.; Sayers, Robert O.; Sebring, Kristen; Spada, Alfred P.; Ternansky, Robert J.; Tomaselli, Kevin J.; Ullman, Brett R.; Valentino, Karen L.; Weeks, Suzanne; Winn, David; Wu, Joe C.; Yeo, Pauline; Zhang, Cheng-Zhi Journal of Medicinal Chemistry, 2005 , vol. 48, # 22 p. 6779 - 6782

~%

2-Methyl-2-propanyl (3S)-3-({N-[{[2-(2-methyl-2-propanyl)phenyl]a mino}(oxo)acetyl]-L-alanyl}amino)-4-oxo-5-(2,3,5,6-tetrafluorophe noxy)pentanoate结构式

2-Methyl-2-prop...

254750-83-9

查看详情
文献:Linton, Steven D.; Aja, Teresa; Armstrong, Robert A.; Bai, Xu; Chen, Long-Shiuh; Chen, Ning; Ching, Brett; Contreras, Patricia; Diaz, Jose-Luis; Fisher, Craig D.; Fritz, Lawrence C.; Gladstone, Patricia; Groessl, Todd; Gu, Xin; Herrmann, Julia; Hirakawa, Brad P.; Hoglen, Niel C.; Jahangiri, Kathy G.; Kalish, Vincent J.; Karanewsky, Donald S.; Kodandapani, Lalitha; Krebs, Joseph; McQuiston, Jeff; Meduna, Steven P.; Nalley, Kip; Robinson, Edward D.; Sayers, Robert O.; Sebring, Kristen; Spada, Alfred P.; Ternansky, Robert J.; Tomaselli, Kevin J.; Ullman, Brett R.; Valentino, Karen L.; Weeks, Suzanne; Winn, David; Wu, Joe C.; Yeo, Pauline; Zhang, Cheng-Zhi Journal of Medicinal Chemistry, 2005 , vol. 48, # 22 p. 6779 - 6782

~%

2-Methyl-2-propanyl (3S)-3-({N-[{[2-(2-methyl-2-propanyl)phenyl]a mino}(oxo)acetyl]-L-alanyl}amino)-4-oxo-5-(2,3,5,6-tetrafluorophe noxy)pentanoate结构式

2-Methyl-2-prop...

254750-83-9

查看详情
文献:Linton, Steven D.; Aja, Teresa; Armstrong, Robert A.; Bai, Xu; Chen, Long-Shiuh; Chen, Ning; Ching, Brett; Contreras, Patricia; Diaz, Jose-Luis; Fisher, Craig D.; Fritz, Lawrence C.; Gladstone, Patricia; Groessl, Todd; Gu, Xin; Herrmann, Julia; Hirakawa, Brad P.; Hoglen, Niel C.; Jahangiri, Kathy G.; Kalish, Vincent J.; Karanewsky, Donald S.; Kodandapani, Lalitha; Krebs, Joseph; McQuiston, Jeff; Meduna, Steven P.; Nalley, Kip; Robinson, Edward D.; Sayers, Robert O.; Sebring, Kristen; Spada, Alfred P.; Ternansky, Robert J.; Tomaselli, Kevin J.; Ullman, Brett R.; Valentino, Karen L.; Weeks, Suzanne; Winn, David; Wu, Joe C.; Yeo, Pauline; Zhang, Cheng-Zhi Journal of Medicinal Chemistry, 2005 , vol. 48, # 22 p. 6779 - 6782

~%

2-Methyl-2-propanyl (3S)-3-({N-[{[2-(2-methyl-2-propanyl)phenyl]a mino}(oxo)acetyl]-L-alanyl}amino)-4-oxo-5-(2,3,5,6-tetrafluorophe noxy)pentanoate结构式

2-Methyl-2-prop...

254750-83-9

查看详情
文献:Linton, Steven D.; Aja, Teresa; Armstrong, Robert A.; Bai, Xu; Chen, Long-Shiuh; Chen, Ning; Ching, Brett; Contreras, Patricia; Diaz, Jose-Luis; Fisher, Craig D.; Fritz, Lawrence C.; Gladstone, Patricia; Groessl, Todd; Gu, Xin; Herrmann, Julia; Hirakawa, Brad P.; Hoglen, Niel C.; Jahangiri, Kathy G.; Kalish, Vincent J.; Karanewsky, Donald S.; Kodandapani, Lalitha; Krebs, Joseph; McQuiston, Jeff; Meduna, Steven P.; Nalley, Kip; Robinson, Edward D.; Sayers, Robert O.; Sebring, Kristen; Spada, Alfred P.; Ternansky, Robert J.; Tomaselli, Kevin J.; Ullman, Brett R.; Valentino, Karen L.; Weeks, Suzanne; Winn, David; Wu, Joe C.; Yeo, Pauline; Zhang, Cheng-Zhi Journal of Medicinal Chemistry, 2005 , vol. 48, # 22 p. 6779 - 6782

 英文别名

本表罗列该化合物全部英文别名、系统命名、CAS别名等英文名称集合。

Boc-(S)-3-Amino-3-(3-trifluoromethyl-phenyl)-propionic acid
(3S)-3-[N-(N'-(2-tert-butylphenyl)oxamyl)alaninyl]amino-5-(2',3',5',6'-tetrafluorophenoxy)-4-oxopentanoic acid tert-butyl ester
(S)-3-(Boc-amino)-3-[3-(trifluoromethyl)phenyl]propionic acid
(3S)-3-[(tert-butoxycarbonyl)amino]-3-[3-(trifluoromethyl)phenyl]propanoic acid
(S)-3-((tert-Butoxycarbonyl)amino)-3-(3-(trifluoromethyl)phenyl)propanoic acid

 常见问题

本部分为该化合物相关常见问答,包含基础参数、性状、储存条件等高频咨询问题与对应答案。

Q: 254750-83-9的InChIKey是什么?
A: 254750-83-9InChIKey为RIUVUYDKONHLBC-YWZLYKJASA-N。
Q: 254750-83-9的SMILES表达式是什么?
A: 254750-83-9SMILES表达式为CC(NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)NC(CC(=O)OC(C)(C)C)C(=O)COc1c(F)c(F)cc(F)c1F。
Q: 254750-83-9的中文名称是什么?
A: 254750-83-9的中文名称为254750-83-9。
Q: 254750-83-9的极性表面积PSA是多少?
A: 254750-83-9极性表面积PSA为143.39000。
Q: 254750-83-9的英文名称是什么?
A: 254750-83-9英文名称为2-Methyl-2-propanyl (3S)-3-({N-[{[2-(2-methyl-2-propanyl)phenyl]a mino}(oxo)acetyl]-L-alanyl}amino)-4-oxo-5-(2,3,5,6-tetrafluorophe noxy)pentanoate。
Q: 254750-83-9的CAS号是多少?
A: 254750-83-9CAS号为254750-83-9。
Q: 254750-83-9的上游原料有哪些?
A: 254750-83-9相关上游原料(CAS):868565-55-3;3057-74-7;6310-21-0;483334-60-7;254751-08-1。
Q: 254750-83-9的分子量是多少?
A: 254750-83-9分子量为625.60800。
Q: 254750-83-9有哪些英文别名?
A: 254750-83-9英文别名有:Boc-(S)-3-Amino-3-(3-trifluoromethyl-phenyl)-propionic acid、 (3S)-3-[N-(N'-(2-tert-butylphenyl)oxamyl)alaninyl]amino-5-(2',3',5',6'-tetrafluorophenoxy)-4-oxopentanoic acid tert-butyl ester、 (S)-3-(Boc-amino)-3-[3-(trifluoromethyl)phenyl]propionic acid、 (3S)-3-[(tert-butoxycarbonyl)amino]-3-[3-(trifluoromethyl)phenyl]propanoic acid、 (S)-3-((tert-Butoxycarbonyl)amino)-3-(3-(trifluoromethyl)phenyl)propanoic acid。
Q: 254750-83-9的LogP(油水分配系数)是多少?
A: 254750-83-9LogP(油水分配系数)为5.15260。

 生产厂家

本表列出该化合物相关生产厂商、供应商信息,包含厂家名称、产品供应相关参考信息。

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