1-ETHYL-2-((4E)-4-(1-ETHYL-3-(4-(2-(METHYLTHIO)ETHYLAMINO)-4-OXOBUTYL)-5-SULFONATOINDOLIN-2-YLIDENE)BUT-2-EN-2-YL)-3,3-DIMETHYL-3H-INDOLIUM-5-SULFONATE-GUANOSINE-3',5'-CYCLIC MONOPHOSPHATE, DISODIUM SALT

CAS号
CCD编号
CCD04189269
分子式
C42 H49 N8 O14 P S3 . 2 Na
分子量
1063.04

基本信息

产品名称: 1-ETHYL-2-((4E)-4-(1-ETHYL-3-(4-(2-(METHYLTHIO)ETHYLAMINO)-4-OXOBUTYL)-5-SULFONATOINDOLIN-2-YLIDENE)BUT-2-EN-2-YL)-3,3-DIMETHYL-3H-INDOLIUM-5-SULFONATE-GUANOSINE-3',5'-CYCLIC MONOPHOSPHATE, DISODIUM SALT
英文同义词: 1-ETHYL-2-((4E)-4-(1-ETHYL-3-(4-(2-(METHYLTHIO)ETHYLAMINO)-4-OXOBUTYL)-5-SULFONATOINDOLIN-2-YLIDENE)BUT-2-EN-2-YL)-3,3-DIMETHYL-3H-INDOLIUM-5-SULFONATE-GUANOSINE-3',5'-CYCLIC MONOPHOSPHATE, DISODIUM SALT ; 8-DY547-CGMP, DISODIUM SALT
MDL号: MFCD18432682
氢键受体数量: 22
氢键供体数量: 4
Smile: CCN\1c2ccc(cc2C(/C1=C\C=C\C3=[N+](c4ccc(cc4C3(C)C)S(=O)(=O)[O-])CC)(C)CCCC(=O)NCCSc5nc6c(=O)[nH]c(nc6n5[C@H]7[C@@H]([C@H]8[C@H](O7)COP(=O)(O8)[O-])O)N)S(=O)(=O)[O-].[Na+].[Na+]
InChi: InChI=1S/C42H51N8O14PS3.2Na/c1-6-48-27-15-13-23(67(56,57)58)20-25(27)41(3,4)30(48)10-8-11-31-42(5,26-21-24(68(59,60)61)14-16-28(26)49(31)7-2)17-9-12-32(51)44-18-19-66-40-45-33-36(46-39(43)47-37(33)53)50(40)38-34(52)35-29(63-38)22-62-65(54,55)64-35;;/h8,10-11,13-16,20-21,29,34-35,38,52H,6-7,9,12,17-19,22H2,1-5H3,(H6-,43,44,46,47,51,53,54,55,56,57,58,59,60,61);;/q;2*+1/p-2/t29-,34-,35-,38-,42?;;/m1../s1
InChiKey: InChIKey=KJPIQMZQMHWPTL-VZPBWPKBSA-L

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