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(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[[(2S)-2-(methanesulfonamido)-3-naphthalen-2-ylsulfanylpropanoyl]amino]-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide

更新时间：2025-09-04 11:15:41

(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[[(2S)-2-(methanesulfonamido)-3-naphthalen-2-ylsulfanylpropanoyl]amino]-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide结构式	常用名	(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[[(2S)-2-(methanesulfonamido)-3-naphthalen-2-ylsulfanylpropanoyl]amino]-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide	英文名	(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[[(2S)-2-(methanesulfonamido)-3-naphthalen-2-ylsulfanylpropanoyl]amino]-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
	CAS号	159878-29-2	分子量	708.97300
	密度	1.27g/cm3	沸点	N/A
	分子式	C₃₈H₅₂N₄O₅S₂	熔点	N/A
	MSDS	N/A	闪点	N/A

英文名	(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[[(2S)-2-(methanesulfonamido)-3-naphthalen-2-ylsulfanylpropanoyl]amino]-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide

密度	1.27g/cm3
分子式	C₃₈H₅₂N₄O₅S₂
分子量	708.97300
精确质量	708.33800
PSA	168.50000
LogP	7.82370
InChIKey	NNBAMFOWJQFHIQ-HHIXDIKQSA-N
SMILES	CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(O)C(Cc1ccccc1)NC(=O)C(CSc1ccc2ccccc2c1)NS(C)(=O)=O
折射率	1.636

(2S,3S)-1,2-环氧-3-苄氧羰基氨基-4-苯基丁烷结构式

(2S,3S)-1,2-环氧-...

128018-44-0

~%

(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[[(2S)-2-(methanesulfonamido)-3-naphthalen-2-ylsulfanylpropanoyl]amino]-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide结构式

(3S,4aS,8aS)-N-...

159878-29-2

文献：Tamamura, Hirokazu; Koh, Yasuhiro; Ueda, Satoshi; Sasaki, Yoshikazu; Yamasaki, Tomonori; Aoki, Manabu; Maeda, Kenji; Watai, Yoriko; Arikuni, Hisashi; Otaka, Akira; Mitsuya, Hiroaki; Fujii, Nobutaka Journal of Medicinal Chemistry, 2003 , vol. 46, # 9 p. 1764 - 1768

N-(TERT-BUTYL)DECAHYDRO-3-ISOQUINOLINECARBOXAMIDE结构式

N-(TERT-BUTYL)D...

128019-40-9

~%

(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[[(2S)-2-(methanesulfonamido)-3-naphthalen-2-ylsulfanylpropanoyl]amino]-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide结构式

(3S,4aS,8aS)-N-...

159878-29-2

文献：Tamamura, Hirokazu; Koh, Yasuhiro; Ueda, Satoshi; Sasaki, Yoshikazu; Yamasaki, Tomonori; Aoki, Manabu; Maeda, Kenji; Watai, Yoriko; Arikuni, Hisashi; Otaka, Akira; Mitsuya, Hiroaki; Fujii, Nobutaka Journal of Medicinal Chemistry, 2003 , vol. 46, # 9 p. 1764 - 1768

2-[2(R)-hydroxy-4-phenyl-3(S)-[[N-(phenylmethoxy)carbonyl]amino]butyl]-N-tert-butyldecahydro-(4aS,8aS)-isoquinoline-3(S)-carboxamide结构式

2-[2(R)-hydroxy...

137431-05-1

~%

(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[[(2S)-2-(methanesulfonamido)-3-naphthalen-2-ylsulfanylpropanoyl]amino]-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide结构式

(3S,4aS,8aS)-N-...

159878-29-2

文献：Tamamura, Hirokazu; Koh, Yasuhiro; Ueda, Satoshi; Sasaki, Yoshikazu; Yamasaki, Tomonori; Aoki, Manabu; Maeda, Kenji; Watai, Yoriko; Arikuni, Hisashi; Otaka, Akira; Mitsuya, Hiroaki; Fujii, Nobutaka Journal of Medicinal Chemistry, 2003 , vol. 46, # 9 p. 1764 - 1768

甲基磺酰氯结构式

甲基磺酰氯

124-63-0

未登录结构式

未登录

159878-19-0

~%

(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[[(2S)-2-(methanesulfonamido)-3-naphthalen-2-ylsulfanylpropanoyl]amino]-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide结构式

(3S,4aS,8aS)-N-...

159878-29-2

文献：Tamamura, Hirokazu; Koh, Yasuhiro; Ueda, Satoshi; Sasaki, Yoshikazu; Yamasaki, Tomonori; Aoki, Manabu; Maeda, Kenji; Watai, Yoriko; Arikuni, Hisashi; Otaka, Akira; Mitsuya, Hiroaki; Fujii, Nobutaka Journal of Medicinal Chemistry, 2003 , vol. 46, # 9 p. 1764 - 1768

(3S,4a,8aS)-2-[(2R,3S)-3-氨基-2-羟基-4-苯基丁基]-N-叔丁基十氢异喹啉-3-甲酰胺结构式

(3S,4a,8aS)-2-[...

136522-17-3

~%

(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[[(2S)-2-(methanesulfonamido)-3-naphthalen-2-ylsulfanylpropanoyl]amino]-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide结构式

(3S,4aS,8aS)-N-...

159878-29-2

文献：Tamamura, Hirokazu; Koh, Yasuhiro; Ueda, Satoshi; Sasaki, Yoshikazu; Yamasaki, Tomonori; Aoki, Manabu; Maeda, Kenji; Watai, Yoriko; Arikuni, Hisashi; Otaka, Akira; Mitsuya, Hiroaki; Fujii, Nobutaka Journal of Medicinal Chemistry, 2003 , vol. 46, # 9 p. 1764 - 1768

tert-butyl ((S)-1-(((2S,3R)-4-((3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl)-3-hydroxy-1-phenylbutan-2-yl)amino)-3-(naphthalen-2-ylthio)-1-oxopropan-2-yl)carbamate结构式

tert-butyl ((S)...

159878-18-9

~%

(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[[(2S)-2-(methanesulfonamido)-3-naphthalen-2-ylsulfanylpropanoyl]amino]-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide结构式

(3S,4aS,8aS)-N-...

159878-29-2

文献：Tamamura, Hirokazu; Koh, Yasuhiro; Ueda, Satoshi; Sasaki, Yoshikazu; Yamasaki, Tomonori; Aoki, Manabu; Maeda, Kenji; Watai, Yoriko; Arikuni, Hisashi; Otaka, Akira; Mitsuya, Hiroaki; Fujii, Nobutaka Journal of Medicinal Chemistry, 2003 , vol. 46, # 9 p. 1764 - 1768

实验名称：Antiviral activity to inhibit viral replication of HIV-1 infected CEM cells
来源：ChEMBL
靶标：CCRF-CEM
External Id：CHEMBL884265

实验名称：Protease Inhibition Assay from Article 10.1016/0960-894X(95)00508-Q: "Potent, orally ...
来源：BindingDB
靶标：N/A
External Id：BindingDB_348_1

实验名称：Antiviral activity to inhibit viral replication of HIV-1 infected CEM cells
来源：ChEMBL
靶标：CCRF-CEM
External Id：CHEMBL876237

实验名称：HIV Enzyme Data
来源：NIAID
靶标：N/A
External Id：HIV Enzyme Data

实验名称：HIV Cellular Data
来源：NIAID
靶标：N/A
External Id：HIV Cellular Data

实验名称：Inhibitory activity against HIV-1 protease
来源：ChEMBL
靶标：Pol polyprotein
External Id：CHEMBL695235

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