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CHAPS	Predict NMR spectrum	RN:  75621-03-3 MF:  C32H58N2O7S MW:  614.88172
InChI:  1S/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-/m1/s1 InChIKey:  UMCMPZBLKLEWAF-VOVXMVHRSA-N	H donor:  4 H acceptor:  9 Rotatable bond:  12 Stereocenter:  11	cLogP:  2.062 cLogS:  -3.694 Polar surface:  155.37
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