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Oxytocin	Predict NMR spectrum	RN:  50-56-6 MF:  C43H66N12O12S2 MW:  1007.19024
InChI:  1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25+,26+,27-,28+,29+,30+,31-,35+/m1/s1 InChIKey:  XNOPRXBHLZRZKH-CFEIOUHFSA-N	H donor:  12 H acceptor:  24 Rotatable bond:  17 Stereocenter:  9	cLogP:  -6.66 cLogS:  -4.289 Polar surface:  450.13
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