31417-02-4 ((Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-[(3R)-3-hydroxy-4-oxo-4-[[3-oxo-3-[(3-mercaptopropyl)amino]propyl]amino]-2,2-dimethylbutyl] ester (9CI))

CAS号:
31417-02-4
英文名称:
Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-[(3R)-3-hydroxy-4-oxo-4-[[3-oxo-3-[(3-mercaptopropyl)amino]propyl]amino]-2,2-dimethylbutyl] ester (9CI)
分子式:
C22H38N7O16P3S
分子量:
781.560706615448

Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-[(3R)-3-hydroxy-4-oxo-4-[[3-oxo-3-[(3-mercaptopropyl)amino]propyl]amino]-2,2-dimethylbutyl] ester (9CI)(31417-02-4)名称与标识符

名称

英文别名:
Adenosine5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate),P'-[(3R)-3-hydroxy-4-oxo-4-[[3-oxo-3-[(3-mercaptopropyl)amino]propyl]amino]-2,2-dimethylbutyl]ester (9CI);4-ester with2,4-dihydroxy-N-[2-[(3-mercaptopropyl)carbamoyl]ethyl]-3,3-dimethylbutyramide(8CI);5'-ester with adenosine3'-(dihydrogen phosphate) 5'-(trihydrogen pyrophosphate), D- (8CI);Adenosine,3'-(dihydrogen phosphate) 5'-(trihydrogen pyrophosphate), 5'®Butyramide, 2,4-dihydroxy-N-[2-[(3-mercaptopropyl)carbamoyl]ethyl]-3,3-dimethyl-,4®Homocoenzyme A;Homocysteamine-CoA;Adenosine, 3'-(dihydrogen phosphate) 5'-(trihydrogen pyrophosphate), 5'→4-ester with 2,4-dihydroxy-N-[2-[(3-mercaptopropyl)carbamoyl]ethyl]-3,3-dimethylbutyramide (8CI);Butyramide, 2,4-dihydroxy-N-[2-[(3-mercaptopropyl)carbamoyl]ethyl]-3,3-dimethyl-, 4→5'-ester with adenosine 3'-(dihydrogen phosphate) 5'-(trihydrogen pyrophosphate), D- (8CI);

标识符

InChIKey:
ZQAAHQPLXSHQHA-BWGWEBPHSA-N
Inchi:
InChI=1S/C22H38N7O16P3S/c1-22(2,17(32)20(33)25-6-4-13(30)24-5-3-7-49)9-42-48(39,40)45-47(37,38)41-8-12-16(44-46(34,35)36)15(31)21(43-12)29-11-28-14-18(23)26-10-27-19(14)29/h10-12,15-17,21,31-32,49H,3-9H2,1-2H3,(H,24,30)(H,25,33)(H,37,38)(H,39,40)(H2,23,26,27)(H2,34,35,36)/t12-,15-,16-,17?,21-/m1/s1
SMILES:
[C@H]1(O[C@H](COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCCS)[C@@H](OP(=O)(O)O)[C@H]1O)N1C=NC2C(N)=NC=NC1=2

Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-[(3R)-3-hydroxy-4-oxo-4-[[3-oxo-3-[(3-mercaptopropyl)amino]propyl]amino]-2,2-dimethylbutyl] ester (9CI)(31417-02-4)推荐厂家 更多厂家(1)

公司名称手机号/电话联系人QQ微信询单
上海楷森生物科技有限公司 17558870519
175-58870519
赵经理 3003926540
询单

Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-[(3R)-3-hydroxy-4-oxo-4-[[3-oxo-3-[(3-mercaptopropyl)amino]propyl]amino]-2,2-dimethylbutyl] ester (9CI)(31417-02-4)合成路线

合成路线:1 步
反应条件:
参考文献:
The importance of the amide bond nearest the thiol group in enzymatic reactions of coenzyme A
By Xun, Jin et al, Bioorganic Chemistry, 2005, 33(2), 90-107