3-[3-(胆酰胺丙基)二甲氨基]丙磺酸内盐
产品名称
3-[3-(胆酰胺丙基)二甲氨基]丙磺酸内盐
CAS号75621-03-3
分子式C32H58N2O7S
分子量614.88
InChIInChI=1/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36/h21-28,30,35-37H,6-20H2,1-5H3,(H-,33,38,39,40,41)/t21-,22+,23-,24-,25+,26+,27-,28+,30+,31+,32-/s3
InChIKeyUMCMPZBLKLEWAF-FLXOPKCTNA-N
SmilesO[C@@H]1C[C@]2([H])C[C@H](O)CC[C@]2(C)[C@@]2([H])C[C@H](O)[C@@]3([C@@]([H])([C@H](C)CCC(=O)NCCC[N+](C)(C)CCCS([O-])(=O)=O)CC[C@@]3([H])[C@]12[H])C |&1:1,3,6,10,12,15,17,18,20,42,44,r|
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