CAS号:9023-99-8-胱硫醚-β-合成酶 - Benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate;hexadecylazanium;[6-[[7-(hexadecylcarbamoyl)-1,5,10-trioxo-1,10-bis(phenylmethoxy)decan-4-yl]amino]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3,6-dioxohexan-2-yl]azanium;[7-(hexadecylcarbamoyl)-1,5,10-trioxo-1,10-bis(phenylmethoxy)decan-4-yl]azanium;4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidine-2,5-dione;bromide;diformate-科华智慧

1. 主信息

英文名:	Benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate;hexadecylazanium;[6-[[7-(hexadecylcarbamoyl)-1,5,10-trioxo-1,10-bis(phenylmethoxy)decan-4-yl]amino]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3,6-dioxohexan-2-yl]azanium;[7-(hexadecylcarbamoyl)-1,5,10-trioxo-1,10-bis(phenylmethoxy)decan-4-yl]azanium;4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidine-2,5-dione;bromide;diformate
中文名:	胱硫醚-β-合成酶
CAS编号:	9023-99-8
化学分子式：	C₁₅₄H₂₂₉BRN₈O₂₉
化学分子量：	2736.4 g/mol
SMILES：	CCCCCCCCCCCCCCCC[NH3+].CCCCCCCCCCCCCCCCNC(=O)C(CCC(=O)OCC1=CC=CC=C1)CC(=O)C(CCC(=O)OCC2=CC=CC=C2)[NH3+].CCCCCCCCCCCCCCCCNC(=O)C(CCC(=O)OCC1=CC=CC=C1)CC(=O)C(CCC(=O)OCC2=CC=CC=C2)NC(=O)C(CC3=CC=C(C=C3)OC(C)(C)C)CC(=O)C(CC4=CC=C(C=C4)OC(C)(C)C)[NH3+].CC(C)(C)OC1=CC=C(C=C1)CC2C(=O)OC(=O)N2.C1=CC=C(C=C1)COC(=O)CCC2C(=O)OC(=O)N2.C(=O)[O-].C(=O)[O-].[Br-]
来源：	合成化合物
结构类型：	-
其它名称或标识：	-

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	200u	≥ 5U/mg protein	800	-20℃	现货	-
科华智慧	500U	≥ 5U/mg protein	1600	-20℃	现货	-

回顶

3. 结构

3.1 二维结构

3.2 三维结构

补充中

回顶

4. 国际命名与标识

4.1 IUPAC Name

benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate;hexadecylazanium;[6-[[7-(hexadecylcarbamoyl)-1,5,10-trioxo-1,10-bis(phenylmethoxy)decan-4-yl]amino]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3,6-dioxohexan-2-yl]azanium;[7-(hexadecylcarbamoyl)-1,5,10-trioxo-1,10-bis(phenylmethoxy)decan-4-yl]azanium;4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidine-2,5-dione;bromide;diformate

4.2 InChl

InChI=1S/C68H97N3O10.C41H62N2O6.C16H35N.C14H17NO4.C13H13NO5.2CH2O2.BrH/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-27-44-70-65(76)55(36-42-63(74)78-49-53-28-23-21-24-29-53)47-62(73)60(41-43-64(75)79-50-54-30-25-22-26-31-54)71-66(77)56(45-51-32-37-57(38-33-51)80-67(2,3)4)48-61(72)59(69)46-52-34-39-58(40-35-52)81-68(5,6)7;1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-30-43-41(47)36(26-28-39(45)48-32-34-22-17-15-18-23-34)31-38(44)37(42)27-29-40(46)49-33-35-24-19-16-20-25-35;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-14(2,3)19-10-6-4-9(5-7-10)8-11-12(16)18-13(17)15-11;15-11(18-8-9-4-2-1-3-5-9)7-6-10-12(16)19-13(17)14-10;2*2-1-3;/h21-26,28-35,37-40,55-56,59-60H,8-20,27,36,41-50,69H2,1-7H3,(H,70,76)(H,71,77);15-20,22-25,36-37H,2-14,21,26-33,42H2,1H3,(H,43,47);2-17H2,1H3;4-7,11H,8H2,1-3H3,(H,15,17);1-5,10H,6-8H2,(H,14,17);2*1H,(H,2,3);1H

4.3 InChlKey

VEZSZKPFZDBDEX-UHFFFAOYSA-N

4.4 Canonical SMILES

CCCCCCCCCCCCCCCC[NH3+].CCCCCCCCCCCCCCCCNC(=O)C(CCC(=O)OCC1=CC=CC=C1)CC(=O)C(CCC(=O)OCC2=CC=CC=C2)[NH3+].CCCCCCCCCCCCCCCCNC(=O)C(CCC(=O)OCC1=CC=CC=C1)CC(=O)C(CCC(=O)OCC2=CC=CC=C2)NC(=O)C(CC3=CC=C(C=C3)OC(C)(C)C)CC(=O)C(CC4=CC=C(C=C4)OC(C)(C)C)[NH3+].CC(C)(C)OC1=CC=C(C=C1)CC2C(=O)OC(=O)N2.C1=CC=C(C=C1)COC(=O)CCC2C(=O)OC(=O)N2.C(=O)[O-].C(=O)[O-].[Br-]

4.5 lsomeric SMILES

4.6 SDF文件

补充中

回顶

5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

回顶

6. 相关药材

中文名称

英文名称

拉丁文名称

回顶

7. 相关靶点

基因靶点

靶点位置

参考文献

回顶

8. 相关疾病

疾病名称

疾病类型