5326971 -OEChem-12031910133D 71 73 0 1 0 0 0 0 0999 V2000 0.7597 -0.1313 -0.3314 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2599 -2.3505 0.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9851 -0.6526 0.1813 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0904 2.2656 -0.2881 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6682 0.3440 -1.8547 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7164 -3.4224 -0.2175 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2631 -4.4048 -1.0806 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 -1.1419 -1.3669 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 3.7128 1.2575 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6242 -0.9208 0.9921 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4757 1.8089 0.8273 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7574 2.3867 -1.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2052 -3.9911 1.2235 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4908 1.6396 -1.4630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6004 3.0535 1.1924 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1628 1.7112 1.9045 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -1.6790 -0.1667 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0473 0.2945 0.1192 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3216 -1.2912 0.3755 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5213 -3.0042 0.4362 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9247 1.7175 0.6728 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4424 -4.0790 0.2991 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0278 0.2302 -1.0540 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8830 -3.5580 0.8654 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3463 0.9199 -0.6944 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0243 -0.5424 -0.7903 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3050 2.3434 0.9003 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3240 -0.0844 -0.1212 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2083 1.3649 0.3502 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7293 2.2691 -0.7905 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4552 1.6985 -1.4283 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0223 -4.5543 0.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3079 0.9803 -1.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0103 2.4941 -2.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 2.3832 2.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6299 2.1899 3.4237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9892 -1.7537 -1.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4217 -0.3583 0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2487 -1.0376 1.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7715 -2.8548 1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3793 2.3269 -0.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7559 -4.9984 0.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5656 0.7030 -1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7781 -3.3277 1.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8515 0.3945 0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2333 -1.5040 -1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8330 1.8483 1.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1539 -0.1732 -0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5134 1.4273 1.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 3.2782 -0.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6372 1.7053 -0.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8156 -5.5031 1.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2195 -4.7527 -0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5323 1.1795 2.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5826 -0.0171 -2.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8826 1.5469 -2.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9865 -4.2676 0.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1712 -3.6537 -1.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 -1.1798 -2.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0549 2.1053 -3.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7199 2.3960 -3.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8812 3.5538 -2.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9080 3.9838 1.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4405 -0.5829 1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0941 1.8023 0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5317 3.1373 -2.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0544 -3.8379 2.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2397 2.5253 -1.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1223 2.3834 4.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9961 1.1640 3.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4631 2.8838 3.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 19 1 0 0 0 0 2 24 1 0 0 0 0 3 17 1 0 0 0 0 3 26 1 0 0 0 0 4 25 1 0 0 0 0 4 27 1 0 0 0 0 5 26 1 0 0 0 0 5 31 1 0 0 0 0 6 20 1 0 0 0 0 6 57 1 0 0 0 0 7 22 1 0 0 0 0 7 58 1 0 0 0 0 8 23 1 0 0 0 0 8 59 1 0 0 0 0 9 27 1 0 0 0 0 9 63 1 0 0 0 0 10 28 1 0 0 0 0 10 64 1 0 0 0 0 11 29 1 0 0 0 0 11 65 1 0 0 0 0 12 30 1 0 0 0 0 12 66 1 0 0 0 0 13 32 1 0 0 0 0 13 67 1 0 0 0 0 14 33 1 0 0 0 0 14 68 1 0 0 0 0 15 35 2 0 0 0 0 16 21 1 0 0 0 0 16 35 1 0 0 0 0 16 54 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 37 1 0 0 0 0 18 21 1 0 0 0 0 18 23 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 22 1 0 0 0 0 20 40 1 0 0 0 0 21 27 1 0 0 0 0 21 41 1 0 0 0 0 22 24 1 0 0 0 0 22 42 1 0 0 0 0 23 25 1 0 0 0 0 23 43 1 0 0 0 0 24 32 1 0 0 0 0 24 44 1 0 0 0 0 25 33 1 0 0 0 0 25 45 1 0 0 0 0 26 28 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 31 34 1 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 35 36 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 M END > DB04679 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MGSDFCKWGHNUSM-QVPNGJTFSA-N/SDF?record_type=3d > C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O > InChI=1S/C20H35NO15/c1-5-10(25)13(28)15(30)19(32-5)36-17-14(29)11(26)7(3-22)34-20(17)35-16-9(21-6(2)24)18(31)33-8(4-23)12(16)27/h5,7-20,22-23,25-31H,3-4H2,1-2H3,(H,21,24)/t5-,7+,8+,9+,10+,11-,12+,13+,14-,15-,16+,17+,18+,19-,20-/m0/s1 > MGSDFCKWGHNUSM-QVPNGJTFSA-N > C20H35NO15 > 529.4896 > 529.200669455 > 15 > 71 > 50.48584579798464 > 0 > 10 > 0 > 0 > N-[(2R,3R,4R,5S,6R)-4-{[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide > -2.28 > -5.715335736333333 > -0.46 > 1 > 3 > 0 > 12.108091312535265 > 11.443344786113856 > -3.612182629439554 > 257.31999999999994 > 110.30759999999997 > 7 > 0 > 1.84e+02 g/l > (2S)-N-methyl-2-[(3S)-3-(2-methylpropyl)-2,5-dioxo-4-(quinolin-3-ylmethyl)-1,4-diazepan-1-yl]-3-(naphthalen-2-yl)propanamide > 0 $$$$