RInChI=1.00.1S/C23H29N7O3/c1-3-14-7-25-11-19(14)29-22-18(23(24)32)10-28-30-12-16(6-20(22)30)15-4-5-17(26-8-15)9-27-21(31)13-33-2/h4-6,8,10,12,14,19,25,29H,3,7,9,11,13H2,1-2H3,(H2,24,32)(H,27,31)!C5H5NO2/c6-3-5(1-2-5)4(7)8/h1-2H2,(H,7,8)!C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3<>C28H32N8O4/c1-3-17-12-35(27(39)28(16-29)6-7-28)14-22(17)34-25-21(26(30)38)11-33-36-13-19(8-23(25)36)18-4-5-20(31-9-18)10-32-24(37)15-40-2/h4-5,8-9,11,13,17,22,34H,3,6-7,10,12,14-15H2,1-2H3,(H2,30,38)(H,32,37)<>C3H7NO/c1-4(2)3-5/h3H,1-2H3/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/rA:33CCCCCCCCCCCCCCCCCCCCCCCNNNNNNNOOO/rB:;s1;;d4;;;;;;;;;s3s7;s4d8;s6d12s15;s5s9;s10;s11s14;d6;s13;d18s20;s18;d23;s7s11;s8d17;s9d21;d10;s19s22;s12s20s28;s21;s23;s2s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!1/N:1,2,3,4,5,6,7,8/E:(1,2)(7,8)/rA:8CCCCCNOO/rB:s1;;;s1s2s3s4;t3;d4;s4;/rC:;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9/E:(2,3,4,5)(7,8)/rA:9CCCCCCCCN/rB:;;;;s1;s2s3;s4s5;s6s7s8;/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/E:(6,7)/rA:40CCCCCCCCCCCCCCCCCCCCCCCCCCCCNNNNNNNNOOOO/rB:;s1;;d4;;s6;;;;;;;;;;s3s12;s4d9;s8d13s18;s5s10;s11;s14s17;d8;s15;d21s23;s21;;s6s7s16s27;t16;d26;s9d20;s10d24;d11;s22s25;s12s14s27;s13s23s33;s24;s26;d27;s2s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5/E:(1,2)/rA:5CCCNO/rB:;;s1s2s3;d3;/rC:;;;;;
Long-RInChIKey=SA-FUHFF-USSZOUQSIULCOD-UHFFFAOYSA-N-KSJJMSKNZVXAND-UHFFFAOYSA-N-JGFZNNIVVJXRND-UHFFFAOYSA-N--VYIXCWOPBYFLEL-UHFFFAOYSA-N--ZMXDDKWLCZADIW-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-LRCGQAKTMI-VYIXCWOPBY-ZMXDDKWLCZ-NUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=DMWKSZSZRDEZMKLXP-NUHFFFADPSCTJSA