RInChI=1.00.1S/C22H22BrN5O/c1-14-24-19(27-28(14)13-15-6-5-7-18(23)12-15)21-26-25-20(29-21)16-8-10-17(11-9-16)22(2,3)4/h5-12H,13H2,1-4H3!C30H43O2P/c1-22(2)31-27-19-13-20-28(32-23(3)4)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-25/h11-13,18-25H,5-10,14-17H2,1-4H3!C4H9O.Na/c1-4(2,3)5;/h1-3H3;/q-1;+1!C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3<>C27H33N7O/c1-19-28-24(26-30-29-25(35-26)21-9-11-22(12-10-21)27(2,3)4)31-34(19)18-20-7-6-8-23(17-20)33-15-13-32(5)14-16-33/h6-12,17H,13-16,18H2,1-5H3<>C4H8O/c1-2-4-5-3-1/h1-4H2/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/E:(2,3,4)(8,9)(10,11)/rA:29CCCCCCCCCCCCCCCCCCCCCCBrNNNNNO/rB:;;;;d5;s5;;;s8;d9;;;s1;s6d12s13;d8s9;d10s11;d7s12;;s16;s19;s2s3s4s17;s18;d14s19;d20;d21s25;d19;s13s14s27;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/E:(1,2,3,4)(5,6)(7,8,9,10)(14,15,16,17)(19,20)(22,23)(24,25)(27,28)(31,32)/rA:33CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOOP/rB:;;;;;s5;s5;s6;s6;;d11;;s7;s8;s9;s10;s11;d13;s13;s12;s1s2;s3s4;s14s15;s16s17;d18;s19;d20;d21s26;s26d27s28;s22s27;s23s28;s24s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5;6/E:(1,2,3);/CRV:5-1;/rA:6CCCCO-Na+/rB:;;s1s2s3;s4;;/rC:;;;;;;!0/N:1,2,3,4,5,6,7/E:(2,3)(4,5)/rA:7CCCCCNN/rB:;;s2;s3;s2s3;s1s4s5;/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/E:(2,3,4)(9,10)(11,12)(13,14)(15,16)/rA:35CCCCCCCCCCCCCCCCCCCCCCCCCCCNNNNNNNO/rB:;;;;;d6;s6;;;s9;d10;;;s13;s14;;;s1;s7d17s18;d9s10;d11s12;d8s17;;s21;s24;s2s3s4s22;d19s24;d25;d26s29;d24;s5s13s14;s15s16s23;s18s19s31;s25s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5/E:(1,2)(3,4)/rA:5CCCCO/rB:s1;s1;s2;s3s4;/rC:;;;;;
Long-RInChIKey=SA-FUHFF-RKODTDCAPSEGPU-UHFFFAOYSA-N-MXFYYFVVIIWKFE-UHFFFAOYSA-N-MFRIHAYPQRLWNB-UHFFFAOYSA-N-PVOAHINGSUIXLS-UHFFFAOYSA-N--IDWROSRDUMDPMX-UHFFFAOYSA-N--WYURNTSHIVDZCO-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-VIBRBDAUZN-IDWROSRDUM-WYURNTSHIV-NUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=WABBKCAAMLPZDRVVW-NUHFFFADPSCTJSA