RInChI=1.00.1S/C28H33N5O3/c1-3-10-33(17-26(30)34)28(36)22-15-21-14-19(7-9-24(21)31-25(29)16-22)23-8-6-20(13-18(23)2)27(35)32-11-4-5-12-32/h6-9,13-15H,3-5,10-12,16-17H2,1-2H3,(H2,29,31)(H2,30,34)<>C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)!C38H49N5O7/c1-9-16-42(23-31(39)44)34(46)28-21-27-20-25(29-14-12-26(19-24(29)2)33(45)41-17-10-11-18-41)13-15-30(27)40-32(22-28)43(35(47)49-37(3,4)5)36(48)50-38(6,7)8/h12-15,19-21H,9-11,16-18,22-23H2,1-8H3,(H2,39,44)<>CH2Cl2/c2-1-3/h1H2/d-
RAuxInfo=1.00.1/1/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/E:(4,5)(11,12)/rA:36CCCCCCCCCCCCCCCCCCCCCCCCCCCCNNNNNOOO/rB:;s1;;s4;;;s6;d7;s3;s4;s5;;;;;;s2d13;s7d14;d6s13;s14s15;d15s16;d8s18s19;s9d21;s16;s17;s20;s22;d25;d26;s24s25;s11s12s27;s10s17s28;s26;d27;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>1/N:1,2,3,4,5,6,7/E:(3,4,5)(6,7)/rA:7CCFFFOO/rB:s1;s2;s2;s2;d1;s1;/rC:;;;;;;;!1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50/E:(3,4,5,6,7,8)(10,11)(17,18)(35,36)(37,38)(47,48)(49,50)/rA:50CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCNNNNNOOOOOOO/rB:;;;;;;;s1;;s10;;;s12;d13;s9;s10;s11;;;;;;s2d19;s13d20;d12s19;s20s21;d21s22;d14s24s25;s15d27;s23;s22;s26;s28;;;s3s4s5;s6s7s8;d31;s30d32;s17s18s33;s16s23s34;s32s35s36;s31;d33;d34;d35;d36;s35s37;s36s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3/E:(2,3)/rA:3CClCl/rB:s1;s1;/rC:;;;
Long-RInChIKey=SA-BUHFF-FZCYZQUYVYALQT-UHFFFAOYSA-N--DTQVDTLACAAQTR-UHFFFAOYSA-N-NGCLEXIQUAZHMO-UHFFFAOYSA-N--YMWUJEATGCHHMB-UHFFFAOYSA-N
Short-RInChIKey=SA-BUHFF-FZCYZQUYVY-YEYGONMYBH-YMWUJEATGC-NUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=QRKCHKKFNAGSAYAUK-NUHFFFADPSCTJSA