Mrv1652306242119513D 44 45 0 0 0 0 999 V2000 -1.7313 -1.5268 1.6898 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0023 -0.5375 1.1612 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2428 -0.0024 -0.0440 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4753 0.7949 -0.2363 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8215 0.2842 -0.0135 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8426 1.4335 -0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2742 -0.8714 -0.8486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0838 -1.0149 -1.1078 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2164 -1.5746 -1.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -2.8053 -1.4739 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3881 -0.6871 -1.1504 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1410 -0.8397 -2.3430 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2389 -1.0668 0.0075 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4172 -0.1400 0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3041 1.0187 0.8141 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3586 1.9086 0.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5269 1.5987 0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6755 0.4496 -0.5064 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5990 -0.4013 -0.5702 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9758 0.6977 -1.0674 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1216 1.0296 -0.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 2.1343 0.2776 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7754 -1.3370 1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6634 -2.4595 1.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 -1.8609 2.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4065 1.7803 0.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4407 1.2541 -1.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0647 0.1500 1.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8276 0.9848 -0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7455 1.6621 -1.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6144 2.3140 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7764 -1.7903 -0.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3996 -1.0153 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0973 -0.6799 -1.9214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8682 -1.3133 -1.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6045 -1.2301 -3.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6648 -0.9603 0.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6327 -2.0958 -0.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3735 1.2497 1.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2374 2.8005 1.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3596 2.3079 0.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5850 0.2246 -1.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6739 -1.3170 -1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5203 1.4493 -1.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 1 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 11 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 3 1 0 0 0 0 19 14 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 28 1 1 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 12 36 1 0 0 0 0 13 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 17 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 M END > NP0013982 > NP-MRD > [H]O[C@]1(N([H])C(=O)[C@](OC([H])([H])[H])(N([H])C1=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H] > InChI=1S/C16H22N2O4/c1-11(2)9-16(22-3)14(20)17-15(21,13(19)18-16)10-12-7-5-4-6-8-12/h4-8,11,21H,9-10H2,1-3H3,(H,17,20)(H,18,19)/t15-,16+/m1/s1 > NDEDJEICWCDGNY-CVEARBPZSA-N > C16H22N2O4 > 306.362 > 306.157957196 > 4 > 44 > 32.24444688452012 > 1 > 3 > 0 > 1 > (3R,6S)-3-benzyl-3-hydroxy-6-methoxy-6-(2-methylpropyl)piperazine-2,5-dione > 0.86 > 1.9481324529999995 > -2.73 > 0 > 2 > 0 > 10.489098733495629 > 9.98593561619912 > -4.302247581254153 > 87.66 > 80.94420000000001 > 5 > 1 > 5.70e-01 g/l > (3R,6S)-3-benzyl-3-hydroxy-6-methoxy-6-(2-methylpropyl)piperazine-2,5-dione > 0 > NP0013982 > Diatretol $$$$