RInChI=1.00.1S/C21H27ClN4O4/c1-21(2,3)30-20(27)26-11-5-6-14(26)12-23-17-13-24-19(22)25-18(17)29-16-9-7-15(28-4)8-10-16/h7-10,13-14,23H,5-6,11-12H2,1-4H3!C39H32OP2/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-28H,1-2H3!C6H6FN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2!CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2<>C27H32FN5O4/c1-27(2,3)37-26(34)33-14-6-9-20(33)16-29-23-17-30-25(31-19-8-5-7-18(28)15-19)32-24(23)36-22-12-10-21(35-4)11-13-22/h5,7-8,10-13,15,17,20,29H,6,9,14,16H2,1-4H3,(H,30,31,32)<>3C17H14O.2Pd/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;/h3*1-14H;;/d+
RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30/E:(1,2,3)(7,8)(9,10)/rA:30CCCCCCCCCCCCCCCCCCCCCClNNNNOOOO/rB:;;;;s5;;;s7;d8;s5;;;s6s12;d7s8;d9s10;d13;s17;;;s1s2s3;s19;s12s17;s13d19;d18s19;s11s14s20;d20;s4s15;s16s18;s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42/E:(1,2)(3,4,5,6)(7,8,9,10,11,12,13,14)(15,16)(17,18,19,20,21,22,23,24)(25,26)(27,28)(29,30,31,32)(33,34)(35,36)(37,38)(41,42)/rA:42CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOPP/rB:;;;;;d3;s3;d4;s4;d5;s5;d6;s6;;;s7;d8;s9;d10;s11;d12;s13;d14;d15;d16;s15;s16;d17s18;d19s20;d21s22;d23s24;s25;s26;d27;d28;d33s35;d34s36;s1s2s33s34;s37s38;s29s30s35;s31s32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7,8/rA:8CCCCCCFN/rB:d1;s1;;s2d4;d3s4;s5;s6;/rC:;;;;;;;;!1/N:1,2,3,4;5;6/E:(2,3,4);;/rA:6COO-O-K+K+/rB:d1;s1;s1;;;/rC:;;;;;;<>1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37/E:(1,2,3)(10,11)(12,13)/rA:37CCCCCCCCCCCCCCCCCCCCCCCCCCCFNNNNNOOOO/rB:;;;;;d5;s5;s6;;;s10;d11;s6;;;;s7d15;d8s15;s9s16;d10s11;d12s13;d17;s23;;;s1s2s3;s18;s16s23;s17d25;s19s25;d24s25;s14s20s26;d26;s4s21;s22s24;s26s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18;19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36;37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54;55;56/E:3*(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16);;/rA:56CCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCOPdPd/rB:;d1;s1;d2;s2;s3;d4;s5;d6;;;d11;d12;d7s8s11;d9s10s12;s13s14;d17;;;d19;s19;d20;s20;s21;d22;s23;d24;;;d29;d30;d25s26s29;d27s28s30;s31s32;d35;;;d37;s37;d38;s38;s39;d40;s41;d42;;;d47;d48;d43s44s47;d45s46s48;s49s50;d53;;;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Long-RInChIKey=SA-FUHFF-WXMAHDUAHWUYNZ-UHFFFAOYSA-N-CXNIUSPIQKWYAI-UHFFFAOYSA-N-QZVQQUVWFIZUBQ-UHFFFAOYSA-N-BWHMMNNQKKPAPP-UHFFFAOYSA-L--GAQMCHZNWFFDSQ-UHFFFAOYSA-N--CYPYTURSJDMMMP-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-JKPLPWLGZW-GAQMCHZNWF-CYPYTURSJD-LUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=RXOJIFNDEWYXRPMEL-LUHFFFADPSCTJSA