RInChI=1.00.1S/C22H31N5O5/c1-20(2,3)32-19(31)26-22(6)8-7-15(21(22,4)5)25-16-13(17(23)28)10-24-27-11-12(18(29)30)9-14(16)27/h9-11,15,25H,7-8H2,1-6H3,(H2,23,28)(H,26,31)(H,29,30)!C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3!H4N2/c1-2/h1-2H2<>C22H33N7O4/c1-20(2,3)33-19(32)27-22(6)8-7-15(21(22,4)5)26-16-13(17(23)30)10-25-29-11-12(9-14(16)29)18(31)28-24/h9-11,15,26H,7-8,24H2,1-6H3,(H2,23,30)(H,27,32)(H,28,31)<>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/E:(1,2,3)(4,5)(29,30)/rA:32CCCCCCCCCCCCCCCCCCCCCCNNNNNOOOOO/rB:;;;;;;s7;;;;s9d11;s10;d9;s7;d13s14;s13;s12;;s1s2s3;s4s5s15;s6s8s21;d17;d10;s15s16;d19s22;s11s14s24;s17;d18;s18;s19;s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6/rA:6CCCCOO/rB:;s1;s2;d4;s3s4;/rC:;;;;;;!0/N:1,2/E:(1,2)/rA:2NN/rB: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/E:(1,2,3)(4,5)/rA:33CCCCCCCCCCCCCCCCCCCCCCNNNNNNNOOOO/rB:;;;;;;s7;;;;s9d11;s10;d9;s7;d13s14;s13;s12;;s1s2s3;s4s5s15;s6s8s21;d17;;d10;s15s16;d19s22;d18s24;s11s14s25;s17;s18;s19;s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5/E:(1,2)/rA:5CCCNO/rB:;;s1s2s3;d3;/rC:;;;;;
Long-RInChIKey=SA-FUHFF-HLRXVVDKSLFWHW-UHFFFAOYSA-N-XEKOWRVHYACXOJ-UHFFFAOYSA-N-OAKJQQAXSVQMHS-UHFFFAOYSA-N--XFGDSQRLXLLPJK-UHFFFAOYSA-N--ZMXDDKWLCZADIW-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-FCXDQNFKCX-XFGDSQRLXL-ZMXDDKWLCZ-NUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=PLXIXJJBOCGLKXKUB-NUHFFFADPSCTJSA