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CC[C@@H](C)N([C@@H]1CCS(=O)(=O)C1)C(=O)COC(=O)c2ccc(o2)c3cccc(c3)C(F)(F)F C01[X(C22H24F3N1O6S1)] 165 C01 547 CC[C@H](N([C@@H]1CCS(=O)(=O)C1)C(=O)COC(=O)c1ccc(o1)c1cccc(c1)C(F)(F)F)C CC[C@H](N([C@@H]1CC[S@@](=O)([O])C1)C(=O)COC(=O)C1=[CH][CH]=C(O1)[C]1[CH][CH][CH][C]([CH]1)C(F)(F)F)C CC[C@@H](C)N([C@@H]1CC[S]([O])(=O)C1)C(=O)COC(=O)c2oc(cc2)[C]3[CH][CH][CH][C]([CH]3)C(F)(F)F InChIKey=WKDGZXWIVBYYRM-RHSMWYFYSA-N InChI=1S/C22H24F3NO6S/c1-3-14(2)26(17-9-10-33(29,30)13-17)20(27)12-31-21(28)19-8-7-18(32-19)15-5-4-6-16(11-15)22(23,24)25/h4-8,11,14,17H,3,9-10,12-13H2,1-2H3/t14-,17-/m1/s1 InChI=1/C22H24F3NO6S/c1-3-14(2)26(17-9-10-33(29,30)13-17)20(27)12-31-21(28)19-8-7-18(32-19)15-5-4-6-16(11-15)22(23,24)25/h4-8,11,14,17H,3,9-10,12-13H2,1-2H3/t14-,17-/m1/s1 3683.8649667998 -2046.4872585 1-A 20933.9406 127 420 547 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|3.187353|3.515036|3.534717|0.082984|3.382724|5.722660|6.178465|0.177065|6.225071|7.288131|93.931265|13.616312|73.516695| |4.912478|5.128608|5.282397|0.120632|4.262799|10.337625|12.340911|0.249619|7.507906|7.347859|76.143801|12.674065|12.994986|36.858105| |5.064355|5.302871|7.597349|0.206494|5.416228|19.075902|7.902939|0.161767|6.286529|4.975727|30.955735|6.553420|6.402555|6.218125|36.858105| |4.095028|4.153779|5.288057|0.140749|4.235494|11.586200|7.114789|0.142336|6.608726|5.921663|34.557112|7.541127|6.697920|6.430950|15.878123|73.516695| |4.789365|4.760607|6.558007|0.225971|4.861446|10.498771|4.997993|0.117335|4.286378|3.584685|23.008660|5.119998|4.993115|4.253880|12.481612|14.273251|36.858105| |3.697544|3.561012|4.447228|0.141621|3.642051|7.159167|3.993039|0.094164|3.701149|3.318126|20.979933|4.863509|4.494282|3.641325|8.055517|13.135060|13.580186|73.516695| |3.260239|3.095638|3.693898|0.120263|3.140262|5.451717|3.171487|0.077924|2.965183|2.699125|17.455075|4.113176|3.835218|2.941582|5.291016|8.690524|8.228305|25.635280|36.858105| |3.342114|3.165854|3.723038|0.126240|3.183371|5.127331|2.959725|0.074707|2.718894|2.438681|16.066731|3.760432|3.605537|2.719004|4.621928|7.221331|7.246371|15.243139|15.988352|73.516695| |2.667092|2.531827|2.922167|0.090820|2.572548|4.363316|2.700125|0.066696|2.611132|2.470973|15.939210|3.852336|3.496862|2.578714|4.081361|7.303532|5.262328|14.591513|12.998164|14.475816|36.858105| |2.318419|2.198201|2.472980|0.076386|2.224222|3.586364|2.272690|0.057266|2.207442|2.107109|13.782171|3.360754|3.071756|2.188583|3.183805|5.662743|3.935080|9.350527|7.481473|11.372689|14.162488|36.858105| |2.059515|1.961693|2.185217|0.065831|1.989712|3.217320|2.101337|0.052905|2.080477|2.034470|13.265150|3.285781|2.947802|2.054181|2.826836|5.214337|3.276693|7.584461|5.206509|7.847883|8.611851|13.358362|36.858105| |2.151756|2.057498|2.314390|0.068795|2.096186|3.511888|2.313464|0.057356|2.321147|2.304276|14.800593|3.689068|3.236207|2.276386|3.160203|6.064205|3.548286|8.538704|5.358005|7.514744|8.789352|8.577513|14.063870|36.858105| |2.510245|2.399433|2.761517|0.082922|2.450870|4.282118|2.741957|0.066798|2.724397|2.659704|16.878040|4.143983|3.642370|2.665478|4.050441|7.823827|4.705059|12.794045|7.823123|9.594552|14.144287|8.625618|8.641695|14.264297|73.516695| |1.961364|1.887595|2.103107|0.061154|1.926917|3.226693|2.196012|0.054458|2.249601|2.300607|14.714536|3.735580|3.205219|2.194474|2.849183|5.638881|3.016430|6.853632|3.957410|5.780859|5.382427|5.178631|7.355118|12.977024|14.176361|36.858105| |1.725840|1.662008|1.824745|0.052866|1.691355|2.750423|1.894993|0.047674|1.941218|1.992637|12.925202|3.303141|2.856522|1.901875|2.358571|4.584404|2.483854|5.391226|3.160713|4.844583|4.094901|4.274658|6.123761|7.664607|9.238083|13.680150|36.858105| |1.594427|1.543000|1.681842|0.048140|1.571530|2.540086|1.784798|0.045078|1.848243|1.929764|12.543081|3.243144|2.779844|1.806357|2.143630|4.199474|2.198268|4.629768|2.638865|4.109034|3.224974|3.274691|4.243211|5.074290|7.059398|7.909423|13.792997|36.858105| |1.630459|1.585813|1.731883|0.049026|1.620193|2.653437|1.893633|0.047544|1.988802|2.119533|13.651330|3.567486|2.999093|1.930945|2.238733|4.479141|2.234223|4.663667|2.568878|3.970789|3.041703|2.950153|3.612641|4.478830|6.774143|6.839276|7.944037|13.753976|36.858105| |1.823682|1.777201|1.963254|0.055384|1.822624|3.071429|2.192864|0.054239|2.323645|2.501800|15.809693|4.131049|3.409719|2.238590|2.643420|5.443696|2.596480|5.513182|2.943508|4.436935|3.470441|3.202431|3.823132|5.082031|8.150981|7.925732|6.898014|7.961375|13.753683|36.858105| |2.029885|1.967881|2.203789|0.063007|2.018983|3.470205|2.409970|0.058999|2.519542|2.646277|16.611554|4.261050|3.557101|2.431025|3.085934|6.381655|3.111831|6.966579|3.732059|5.412545|4.639213|4.117731|5.025982|7.686048|12.224643|13.698462|7.937401|6.872515|7.917871|13.758318|36.858105| |1.830396|1.798674|1.981399|0.054928|1.849149|3.143623|2.312273|0.056972|2.505222|2.803157|17.512514|4.663724|3.737656|2.391818|2.666228|5.612097|2.512577|5.154093|2.659728|4.054738|2.969665|2.687555|3.031500|3.829507|6.674676|5.041381|4.465779|5.050615|7.617674|12.661434|7.628507|36.858105| |1.637264|1.621470|1.774336|0.049023|1.681972|2.770483|2.058111|0.051479|2.248094|2.511399|15.770347|4.192971|3.439300|2.115164|2.293869|4.714246|2.168719|4.347760|2.276999|3.545967|2.514437|2.330724|2.619383|3.166799|5.430562|4.039915|3.869789|4.623573|6.919062|8.130012|5.332773|14.383344|97.533100| |1.978660|1.972059|2.210310|0.060783|2.071682|3.579393|2.657156|0.064551|2.971724|3.374787|20.064293|5.252826|4.220388|2.709318|3.066108|6.649051|2.809972|5.732475|2.860092|4.319952|3.106952|2.726128|2.975399|3.764339|6.977773|4.608730|3.868038|4.052492|5.341285|8.124702|6.891895|14.408164|20.096907|97.533100| |1.871005|1.815493|1.968107|0.054226|1.815002|3.134024|2.332517|0.057456|2.480719|2.834512|18.369478|5.063757|3.876958|2.490488|2.634572|5.566847|2.449371|4.948716|2.538523|3.899126|2.785166|2.519500|2.795274|3.454107|6.121172|4.333333|3.895157|4.327215|5.977085|8.129808|6.017007|14.386991|20.152925|20.149956|97.533100| |17.564352|8.810364|5.436874|0.142451|4.054796|6.386618|4.185994|0.121957|3.116632|2.772114|22.238138|4.985689|5.365630|4.288764|3.967787|6.022764|3.774057|5.476262|2.789268|5.100698|2.350774|2.085300|1.873425|1.945097|3.958166|1.790368|1.594773|1.483609|1.515727|1.679827|1.847879|1.690495|3.429701|4.073892|3.911846|0.500000| |17.534470|8.773307|6.697408|0.207010|4.535404|7.453251|4.246982|0.116582|3.211538|2.788694|20.970627|4.705191|4.886967|4.063230|4.909980|6.975857|5.197069|7.081516|3.625898|6.849674|2.894341|2.522072|2.196271|2.262185|4.709035|2.025586|1.780563|1.628353|1.648003|1.835509|2.063903|1.814876|3.645846|4.385319|4.148205|0.302362|0.500000| |17.568294|8.744285|6.682244|0.171741|4.423099|9.244595|5.646861|0.148806|3.897550|3.456359|27.702180|6.141500|6.217533|6.078370|5.800480|8.538518|5.115034|7.149904|3.431412|6.029769|2.829869|2.423753|2.171783|2.305008|4.824991|2.113220|1.843571|1.704734|1.755407|1.982342|2.212612|2.001388|3.987765|4.880825|4.649530|0.302283|0.301421|0.500000| |8.883087|17.536171|8.948919|0.216166|7.147535|7.606671|4.699303|0.148905|3.543939|2.895489|21.551693|4.584442|5.400245|3.996934|4.265144|6.117195|4.102143|5.620563|2.849388|5.314317|2.348386|2.075260|1.847172|1.911523|3.913017|1.750027|1.555510|1.444613|1.475347|1.637293|1.805599|1.647610|3.370051|4.036489|3.723690|0.213138|0.212566|0.172932|0.500000| |8.838076|17.543022|8.796195|0.175142|6.721624|9.353395|6.750876|0.242059|4.493057|3.631980|28.830470|5.834509|7.360627|5.774532|4.736006|6.993290|4.013069|5.596731|2.729200|4.867759|2.296196|2.006568|1.821175|1.923845|3.947654|1.793581|1.587507|1.488656|1.541766|1.727552|1.889121|1.771557|3.612920|4.381466|4.046352|0.214231|0.172806|0.208132|0.305361|0.500000| |4.442871|6.764766|8.712693|0.174237|17.566941|9.166678|6.635404|0.239160|5.601257|3.924115|26.303759|5.184679|6.869050|4.484691|4.724407|6.985839|4.024928|5.635628|2.738484|4.860362|2.309525|2.014388|1.832285|1.941200|3.986457|1.813626|1.602368|1.504333|1.562185|1.755088|1.918033|1.804250|3.717682|4.557288|4.005571|0.107287|0.110349|0.114754|0.176955|0.197734|0.500000| |4.032711|5.463174|8.786937|0.213872|17.562038|9.616519|5.707545|0.163856|5.336550|3.744136|23.244567|4.756105|5.677300|3.937758|5.584992|7.882298|5.109139|6.920387|3.334516|5.937658|2.732278|2.346416|2.098704|2.220744|4.640979|2.037343|1.778979|1.648656|1.700886|1.921318|2.138659|1.944684|3.980105|4.951162|4.237447|0.094450|0.108155|0.106136|0.143955|0.138657|0.301313|0.500000| |4.582014|6.834784|8.826936|0.219100|17.563071|7.596048|4.656767|0.145669|3.976166|3.033368|20.495057|4.278750|5.172079|3.522171|4.345029|6.217292|4.225407|5.792587|2.925902|5.432190|2.409375|2.121817|1.888978|1.959544|4.021413|1.793650|1.589837|1.475839|1.509487|1.679674|1.855108|1.690534|3.482456|4.209535|3.733105|0.109776|0.123026|0.110845|0.214777|0.165182|0.302570|0.301222|0.500000| |3.388821|3.932360|5.187659|0.124809|5.190639|10.044550|8.669071|0.183965|17.665297|8.849234|38.327201|7.318251|8.215419|5.787380|7.052748|13.337895|4.839007|7.506993|3.315316|5.324143|2.901817|2.418943|2.270305|2.551353|5.403130|2.453834|2.092130|1.975463|2.121809|2.500992|2.754324|2.668120|5.351153|7.245693|5.806646|0.081061|0.087362|0.101294|0.093933|0.110804|0.146670|0.163555|0.111841|0.500000| |3.282386|3.976731|4.786102|0.109051|5.203700|8.075779|8.776356|0.237914|17.602270|8.848102|44.211341|7.677354|11.255285|5.899340|4.853135|8.625166|3.628906|5.593519|2.612407|4.347973|2.318383|1.997474|1.886163|2.076094|4.253589|2.017280|1.767133|1.692266|1.813161|2.085743|2.232943|2.244064|4.620243|5.908670|4.982532|0.081180|0.081761|0.095917|0.096258|0.121297|0.171351|0.149633|0.113297|0.302498|0.500000| |3.002895|3.168726|3.646964|0.091089|3.356236|6.809320|6.334342|0.136109|8.737583|17.629774|57.852386|12.201272|9.678781|6.586991|5.293441|12.524544|3.808442|6.538454|2.940342|4.610071|2.732441|2.300431|2.242331|2.593106|5.372029|2.618237|2.232213|2.160915|2.403982|2.907818|3.092547|3.315303|6.506815|9.270390|7.560933|0.074356|0.076697|0.094695|0.075550|0.091639|0.096045|0.096687|0.078309|0.221886|0.174655|0.500000| |2.662334|2.919830|3.279975|0.080358|3.245488|5.624912|5.530337|0.134726|8.638448|17.617249|57.319510|10.917947|12.074216|5.349338|3.952083|8.073763|3.037472|5.088873|2.393971|3.878016|2.229424|1.932244|1.884710|2.124200|4.272897|2.148236|1.886856|1.849573|2.042140|2.385919|2.469850|2.710041|5.600097|7.337888|6.118609|0.067548|0.067403|0.080866|0.071355|0.087341|0.097907|0.093117|0.076364|0.193708|0.221640|0.298309|0.500000| |5.520569|5.568806|5.056774|0.115483|4.058959|8.581921|8.640272|0.226905|5.561096|5.361892|57.385172|10.917906|12.214690|17.617835|5.053449|8.757841|3.784345|5.739300|2.694668|4.528247|2.364536|2.039473|1.908409|2.082979|4.277189|2.000897|1.756051|1.669748|1.770098|2.020960|2.181731|2.139242|4.301076|5.338616|5.040312|0.140073|0.120232|0.191173|0.119563|0.186158|0.119950|0.100394|0.096174|0.124877|0.134802|0.134476|0.119467|0.500000| |4.817611|4.628216|4.872754|0.118342|3.824671|9.732225|8.679343|0.176005|6.243667|6.532738|57.832463|12.284570|9.705806|17.669700|6.965905|14.060770|4.693939|7.373266|3.274906|5.258329|2.880705|2.408600|2.264288|2.542345|5.365705|2.447325|2.093368|1.976604|2.117855|2.485764|2.733905|2.646716|5.159879|6.733078|6.276496|0.115260|0.115053|0.174880|0.101729|0.134318|0.106659|0.100770|0.089494|0.149200|0.134086|0.188730|0.133802|0.298489|0.500000| |5.785168|5.247375|6.581530|0.242915|4.602347|9.314976|4.568059|0.111472|3.736024|3.197569|21.672561|4.886017|4.768721|4.088930|8.812370|11.016339|17.626233|16.590676|7.398779|13.236953|4.827325|3.776708|3.109617|3.271026|7.437903|2.777701|2.330526|2.065754|2.081231|2.379824|2.815862|2.295336|4.489349|5.649558|5.115878|0.122720|0.190084|0.168867|0.125764|0.117643|0.106193|0.126076|0.115805|0.111191|0.090013|0.092920|0.075921|0.105792|0.125345|0.500000| |4.325044|4.614263|6.717893|0.248566|5.470173|9.353086|4.596208|0.112709|4.111763|3.334452|21.014440|4.626075|4.704055|3.734720|8.804405|10.967884|17.611832|16.617475|7.267244|12.758195|4.800713|3.745692|3.101639|3.279726|7.472685|2.794693|2.338553|2.076222|2.098474|2.407833|2.849738|2.327298|4.596142|5.861447|5.034702|0.096666|0.130901|0.120869|0.115627|0.107472|0.119857|0.169906|0.134087|0.132148|0.100255|0.096010|0.080365|0.093585|0.109006|0.302587|0.500000| |2.269437|2.148607|2.392872|0.074662|2.164737|3.378600|2.134467|0.054484|2.054455|1.943393|12.845188|3.118087|2.897470|2.046095|2.923868|5.071327|3.651654|8.108783|6.515414|11.601162|8.841096|17.812613|8.467498|5.839166|10.459314|4.052707|3.553970|2.827325|2.553120|2.719545|3.346775|2.335284|4.640844|5.329304|4.972817|0.057049|0.069416|0.064886|0.057086|0.054173|0.054243|0.063083|0.058204|0.062091|0.052186|0.058122|0.049693|0.053576|0.061848|0.100299|0.099010|0.500000| |1.858058|1.772610|1.950549|0.058386|1.795111|2.840882|1.880155|0.047797|1.867094|1.835828|12.060818|3.002881|2.704039|1.846131|2.439794|4.485399|2.775021|6.126682|4.081641|6.494563|5.864427|8.513373|17.817012|8.762526|10.460839|6.325935|6.261223|4.343006|3.527633|3.540260|4.369850|2.805805|5.588632|6.072058|5.837006|0.047455|0.054871|0.054101|0.046710|0.045972|0.046225|0.052389|0.047684|0.056138|0.047486|0.055784|0.047687|0.048010|0.056049|0.074073|0.073866|0.193948|0.500000| |1.663597|1.597873|1.745660|0.050923|1.621341|2.592633|1.774051|0.044978|1.800903|1.827626|11.960518|3.039951|2.667812|1.772813|2.204331|4.200743|2.362095|5.083464|3.073613|4.814255|4.010659|4.486049|6.750138|7.056036|8.427155|8.888673|17.732045|8.962765|5.657962|4.966173|5.641657|3.567407|7.181561|7.174160|7.223516|0.042848|0.048021|0.048983|0.041830|0.042224|0.042526|0.047262|0.042676|0.053767|0.045840|0.056187|0.048100|0.045851|0.053883|0.062288|0.062315|0.105736|0.220464|0.500000| 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