439326 -OEChem-11231911283D 57 58 0 1 0 0 0 0 0999 V2000 -0.5001 0.7668 -0.3570 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 -1.3657 0.3207 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5064 1.9075 1.4140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.3647 -0.7963 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9923 -0.7573 -0.9715 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4295 -2.9170 0.8521 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7642 1.3862 1.1842 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 3.9210 2.2029 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3133 -3.5068 1.8232 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0674 2.3119 -2.3577 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0619 -2.6610 -0.5516 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2603 1.5540 -0.5083 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1356 -0.3775 -0.9965 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7348 0.6519 0.3449 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8178 0.1753 -0.5402 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7545 0.0020 -0.5932 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5303 0.0072 0.2740 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9246 -0.7477 -0.0215 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2218 2.0297 0.8008 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1683 0.0474 -0.0058 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4194 -2.1796 0.1689 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1148 -2.1901 0.9697 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5091 1.4505 0.5080 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2888 2.6611 1.8291 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5164 -3.5888 1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8428 2.5025 -1.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4968 -1.6999 -1.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4736 3.8467 -1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4999 -1.8655 -2.2907 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6373 0.0155 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6068 -0.0728 -1.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7237 0.4852 -1.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6719 0.3855 1.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3440 -0.3660 0.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 2.7174 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2295 -0.6627 0.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2730 -2.6521 -0.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 -1.8074 1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6093 2.1631 -0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2253 2.0435 2.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 2.8101 1.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8616 1.8447 0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2712 -3.9878 0.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1989 -4.2761 1.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5136 0.3263 -1.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3854 -1.8086 0.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6447 -1.0988 -1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5351 -2.5320 1.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1485 2.2789 1.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 4.3035 2.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0529 -4.4060 1.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5555 3.7784 -1.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0656 4.5803 -1.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2601 4.1774 -0.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -1.1309 -2.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9352 -2.8676 -2.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.7312 -3.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 17 1 0 0 0 0 2 17 1 0 0 0 0 2 22 1 0 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 4 16 1 0 0 0 0 4 46 1 0 0 0 0 5 18 1 0 0 0 0 5 47 1 0 0 0 0 6 21 1 0 0 0 0 6 48 1 0 0 0 0 7 23 1 0 0 0 0 7 49 1 0 0 0 0 8 24 1 0 0 0 0 8 50 1 0 0 0 0 9 25 1 0 0 0 0 9 51 1 0 0 0 0 10 26 2 0 0 0 0 11 27 2 0 0 0 0 12 15 1 0 0 0 0 12 26 1 0 0 0 0 12 42 1 0 0 0 0 13 20 1 0 0 0 0 13 27 1 0 0 0 0 13 45 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 14 30 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 31 1 0 0 0 0 16 20 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 21 1 0 0 0 0 18 34 1 0 0 0 0 19 24 1 0 0 0 0 19 35 1 0 0 0 0 20 23 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 25 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 M END > DB03013 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CDOJPCSDOXYJJF-KSKNGZLJSA-N/SDF?record_type=3d > CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O > InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16+/m1/s1 > CDOJPCSDOXYJJF-KSKNGZLJSA-N > C16H28N2O11 > 424.4003 > 424.169309748 > 11 > 57 > 40.85557068207311 > 0 > 8 > 0 > 0 > N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide > -2.60 > -5.279445251 > -0.58 > 0 > 2 > 0 > 12.217954007028705 > 11.50483405170814 > -2.9810292519676453 > 207.26999999999998 > 90.5393 > 6 > 0 > 1.11e+02 g/l > N-(3-{[4-(benzyloxy)-3,5-dimethoxyphenyl]formamido}-2-hydroxy-4-phenylbutyl)-3-(1,3-dioxoisoindol-2-yl)-N-{2-[(5S)-hexahydro-2H-1,3-benzodioxol-5-yl]ethyl}propanamide > 0 $$$$