1019 3D 53 54 0 0 1 0 0 0 0 0999 V2000 4.6274 -6.7159 -3.6129 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2642 -7.0351 -2.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0079 -6.7853 -1.9452 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5078 -7.4608 -0.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 -7.5263 -0.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5144 -8.3239 -1.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8559 -8.6906 -2.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4294 -9.0065 -1.2237 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -9.0039 0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6272 -8.1450 0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7847 -10.3148 -0.1774 B 0 0 0 0 0 0 0 0 0 0 0 0 0.2135 -11.3856 -0.7663 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 -10.4696 0.0335 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0021 -9.9912 1.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4687 -9.3940 2.7259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8553 -9.9593 3.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3303 -7.8503 2.7351 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 -6.1936 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9440 -4.8863 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6468 -3.6608 0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9594 -2.4452 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5618 -2.4448 -0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1415 -3.6526 -0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5447 -4.8651 0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2138 -7.7026 -1.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1237 -6.8971 -1.0193 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8512 -7.4728 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6649 -8.7890 0.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7729 -9.5954 -0.2903 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0455 -9.0290 -1.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4284 -6.0873 -2.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5549 -6.5042 1.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7651 -5.9719 0.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3353 -9.1241 -1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5345 -10.9380 1.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0162 -10.2631 1.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5754 -12.1340 -0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7901 -11.1363 -0.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2296 -9.7828 3.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6992 -9.2726 3.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1252 -10.8162 2.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8412 -10.3108 4.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1942 -7.3216 2.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0971 -7.4343 3.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5176 -7.5771 2.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -3.6456 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0131 -5.7967 0.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5028 -1.5035 -0.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0203 -1.5042 -0.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2277 -3.6539 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2774 -9.6506 -1.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5628 -6.8320 0.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2018 -9.2355 1.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 3 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 8 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 20 46 1 0 0 0 0 24 47 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 30 51 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 M END > 234.07765886589135 > InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25) > GXJABQQUPOEUTA-UHFFFAOYSA-N > 1/1/N:16,17,22,21,23,20,24,28,27,14,18,30,15,19,4,25,9,6,2,11,29,26,3,8,7,1,12,13/E:(1,2)(4,5)(6,7)(27,28)/rA:53cOCNCHCONCHBOOCCCCCCCCCCCCNCCNCHHHHHHHHHHHHHHHHHHHHHHH/rB:d1;s2;s3;s4;s4;d6;s6;s8;s9;s9;s11;s11;s9;s14;s15;s15;s4;s18;s19;d20;s21;d22;d19s23;s2;s25;d26;s27;d28;d25s29;s3;s18;s18;s8;s14;s14;s12;s13;s15;s16;s16;s16;s17;s17;s17;s20;s24;s21;s22;s23;s30;s27;s28;/rC:4.6274,-6.7159,-3.6129;4.2642,-7.0351,-2.4892;3.0079,-6.7853,-1.9452;2.5078,-7.4608,-.7403;1.615,-7.5263,-.1291;1.5144,-8.3239,-1.7281;1.8559,-8.6906,-2.87;.4294,-9.0065,-1.2237;-.022,-9.0039,.1665;-.6272,-8.145,.299;.7847,-10.3148,-.1774;.2135,-11.3856,-.7663;2.1107,-10.4696,.0335;-.0021,-9.9912,1.3784;-.4687,-9.394,2.7259;-1.8553,-9.9593,3.1315;-.3303,-7.8503,2.7351;2.69,-6.1936,.205;1.944,-4.8863,.029;2.6468,-3.6608,.0183;1.9594,-2.4452,-.0153;.5618,-2.4448,-.0294;-.1415,-3.6526,-.0105;.5447,-4.8651,.0224;5.2138,-7.7026,-1.604;6.1237,-6.8971,-1.0193;6.8512,-7.4728,-.044;6.6649,-8.789,.3227;5.7729,-9.5954,-.2903;5.0455,-9.029,-1.2661;2.4284,-6.0873,-2.3989;2.5549,-6.5042,1.2528;3.7651,-5.9719,.1705;-.3353,-9.1241,-1.905;-.5345,-10.938,1.2096;1.0162,-10.2631,1.6026;.5754,-12.134,-.2602;2.7901,-11.1363,-.0989;.2296,-9.7828,3.4987;-2.6992,-9.2726,3.0181;-2.1252,-10.8162,2.5252;-1.8412,-10.3108,4.1795;-1.1942,-7.3216,2.3088;-.0971,-7.4343,3.728;.5176,-7.5771,2.1094;3.7375,-3.6456,.067;-.0131,-5.7967,.0736;2.5028,-1.5035,-.0187;.0203,-1.5042,-.0517;-1.2277,-3.6539,-.01;4.2774,-9.6506,-1.7038;7.5628,-6.832,.4573;7.2018,-9.2355,1.1474; > C19 H25 B N4 O4 > 384.2372 > O=C(C1=C([H])N=C([H])C([H])=N1)N([H])[C@@](C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])(C([N@]([H])[C@@](C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])(B(O[H])O[H])[H])=O)[H] > 343402 $$$$