313682-08-5 ((Carbamic acid,N-[(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-[[4-[(2-methyl-4-thiazolyl)methoxy]phenyl]methyl]propyl]-,(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester)

快速询单

结构式：

Carbamic acid,N-[(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-[[4-[(2-methyl-4-thiazolyl)methoxy]phenyl]methyl]propyl]-,(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester结构式图片|313682-08-5结构式图片

CAS号：

313682-08-5

英文名称：

分子式：

C₃₃H₄₁N₃O₁₀S₂

分子量：

703.822746992111

简介：

Brecanavir (GW640385)是一种新型的、有效的HIV蛋白酶抑制剂。

Carbamic acid,N-[(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-[[4-[(2-methyl-4-thiazolyl)methoxy]phenyl]methyl]propyl]-,(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester(313682-08-5)名称与标识符

名称

英文别名：

Carbamic acid,N-[(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-[[4-[(2-methyl-4-thiazolyl)methoxy]phenyl]methyl]propyl]-,(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbam;2fdd;2fde;Brecanavir;GW0385;AKOS005145761;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;(3R,3aS,6aR)-hexahydrofuro(2,3-b)furan-3-yl ((1S,2R)-3-((1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(4-((2-methylthiazol-4-yl)methoxy)benzyl)propyl)carbamate;(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-[(1,3-BENZODIOXOL-5-YLSULFONYL)(ISOBUTYL)AMINO]-2-HYDROXY-1-{4-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]BENZYL}PROPYL]CARBAMATE;CS-0081293;SCHEMBL1533991;VX 385;Brecanavir [USAN:INN];GSK 640385;GW-640385;UNII-E367I8C7FI;DB04887;BDBM4685;CARBAMIC ACID, ((1S,2R)-3-((1,3-BENZODIOXOL-5-YLSULFONYL)(2-METHYLPROPYL)AMINO)-2-HYDROXY-1-((4-((2-METHYL-4-THIAZOLYL)METHOXY)PHENYL)METHYL)PROPYL)-, (3R,3AS,6AR)-HEXAHYDROFURO(2,3-B)FURAN-3-YL ESTER;D03253;[(1R,5S,6R)-2,8-Dioxabicyclo[3.3.0]oct-6-yl]n-[(2S,3R)-4-(benzo[1,3]dioxol-5-ylsulfonyl-(2-methylpropyl)amino)-3-hydroxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;E367I8C7FI;GW64085X;DTXSID10185296;(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzyl}propyl]carbamate;Proteinase inhibitor 640385;BRECANAVIR [INN];313682-08-5;[3H]GW0385;Brecanavir [USAN];GW640385;GW-640385X;CHEMBL206031;GW 0385;VX-385;BRECANAVIR [WHO-DD];AC-31378;NS00069745;AMY16475;(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[2H-1,3-benzodioxole-5-(2-methylpropyl)sulfonamido]-3-hydroxy-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}butan-2-yl]carbamate;Q4959983;(3R,3AS,6AR)-HEXAHYDROFURO(2,3-B)FURAN-3-YL((1S,2R)-3-((1,3,BENZODIOXOL-5-YLSULFONYL)2-METHYLPROPYL)AMINO)-2-HYDROXY-1-(4-((2-METHYLTHIOZOL-5-YL)METHOXY)BENZYL)PROPYL)CARBAMATE;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(1S,2R)-3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-2-hydroxy-1-[[4-[(2-methylthiazol-4-yl)methoxy]phenyl]methyl]propyl]carbamate;Carbamic acid, [(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-[[4-[(2-methyl-4-thiazolyl)methoxy]phenyl]methyl]propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester;(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-2-hydroxy-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzyl}propylcarbamate;Carbamic acid, ((1S,2R)-3-((1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-((4-((2-methyl-4-thiazolyl)methoxy)phenyl)methyl)propyl)-, (3R,3aS,6aR)-hexahydrofuro(2,3-b)furan-3-yl ester;HY-121240;GW-64085X;JORVRJNILJXMMG-OLNQLETPSA-N;Brecanavir (USAN);DA-51387;[(1R,5S,6R)-2,8-dioxabicyclo[3.3.0]oct-6-yl] N-[(2S,3R)-4-(benzo[1,3]dioxol-5-ylsulfonyl-(2-methylpropyl)amino)-3-hydroxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;

标识符

InChIKey：

JORVRJNILJXMMG-OLNQLETPSA-N

Inchi：

1S/C33H41N3O10S2/c1-20(2)14-36(48(39,40)25-8-9-29-30(13-25)45-19-44-29)15-28(37)27(35-33(38)46-31-17-43-32-26(31)10-11-41-32)12-22-4-6-24(7-5-22)42-16-23-18-47-21(3)34-23/h4-9,13,18,20,26-28,31-32,37H,10-12,14-17,19H2,1-3H3,(H,35,38)/t26-,27-,28+,31-,32+/m0/s1

SMILES：

S(C1=CC=C2C(=C1)OCO2)(N(CC(C)C)C[C@H]([C@H](CC1C=CC(=CC=1)OCC1=CSC(C)=N1)NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)O)(=O)=O

Carbamic acid,N-[(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-[[4-[(2-methyl-4-thiazolyl)methoxy]phenyl]methyl]propyl]-,(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester(313682-08-5)物化性质

实验特性

LogP : 5.33740
PSA : 191.60000
折射率 : 1.641
沸点 : °Cat760mmHg
闪点 : °C
密度 : 1.43

计算特性

精确分子量 : 703.22300
氢键供体数量 : 2
氢键受体数量 : 13
可旋转化学键数量 : 15
同位素质量 : 703.223
重原子数量 : 48
复杂度 : 1150
同位素原子数量 : 0
确定原子立构中心数量 : 5
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 4.4
拓扑分子极性表面积 : 192A^2

Carbamic acid,N-[(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-[[4-[(2-methyl-4-thiazolyl)methoxy]phenyl]methyl]propyl]-,(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester(313682-08-5)推荐厂家更多厂家(3)

公司名称	手机号/电话	联系人	QQ	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
上海麦克林生化科技股份有限公司	15221275939 021-50706066	沈经理	269348414	询单
上海喀露蓝科技有限公司	18149758185 021-64556180	林女士	2377734184	询单

Carbamic acid,N-[(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-[[4-[(2-methyl-4-thiazolyl)methoxy]phenyl]methyl]propyl]-,(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester(313682-08-5)相关文献

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960化工网为您提供Carbamic acid,N-[(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-[[4-[(2-methyl-4-thiazolyl)methoxy]phenyl]methyl]propyl]-,(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.313682-08-5,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:313682-08-5 国际站:313682-08-5