37768 -OEChem-09291811473D 83 85 0 1 0 0 0 0 0999 V2000 -0.2481 -1.5435 -0.0318 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0143 1.2262 -0.0189 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6187 0.4791 2.3746 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7154 -3.6608 0.9232 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9669 3.0045 1.2262 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3871 -2.6479 -2.5716 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5554 0.0746 -0.3225 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3071 -3.3663 0.1595 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0786 2.2906 -1.3926 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4770 4.6550 -1.7036 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4438 -1.5561 -1.7036 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6527 -3.7443 3.4833 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8243 -1.3551 -0.5031 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3036 -0.6804 0.1187 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5248 2.2729 0.1922 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1638 -3.6565 -2.4905 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5372 5.4195 1.3645 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2986 2.8934 -0.1960 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9202 -1.0504 0.6256 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2427 1.4238 0.6315 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9786 -0.7591 -0.4492 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5548 0.1783 1.4760 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3141 1.7359 -0.4302 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6412 0.4919 -1.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1857 -2.9586 -0.2015 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0964 1.6431 0.8116 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9272 -3.3750 -1.4736 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4343 -3.1227 -1.3342 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4606 1.4101 0.1602 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9594 -3.7821 -0.0481 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7099 2.3830 -0.9905 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1001 -3.3866 1.1635 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4360 3.8217 -0.5476 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0719 3.9387 0.1457 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4357 -1.0908 -0.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4938 -4.1564 2.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 5.3284 0.7348 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7132 -0.8806 0.2389 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9422 0.5901 0.6082 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0680 1.5124 -0.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 -1.8138 1.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2011 2.2954 1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0009 -1.5892 -1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3098 -0.0930 2.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9222 2.5018 -1.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7665 0.2667 -1.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4566 0.7186 -1.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8563 -3.2821 -0.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0762 1.0334 1.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3970 -0.2830 1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7599 -4.4451 -1.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6251 -2.0454 -1.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2503 1.5445 0.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2996 3.1249 0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1901 2.5414 -0.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9521 -4.8736 -0.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1116 2.1137 -1.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2084 -2.3168 1.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 1.2160 2.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2341 4.1580 0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2718 3.7447 -0.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5346 -3.9635 2.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 -5.2328 2.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 6.0939 -0.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6075 5.5441 1.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1545 -3.4350 -2.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8396 -3.1950 -3.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6351 -1.4860 1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5562 -2.8739 -2.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3704 -0.5141 0.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3113 -2.4018 0.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6353 2.5131 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 4.3864 -2.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8726 0.6593 1.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1400 0.9504 1.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4631 4.7238 2.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4383 6.3289 1.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9182 -4.2477 4.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5985 -1.3396 0.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1634 1.4714 -1.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9062 1.1938 -1.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3280 3.4922 -1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5117 3.2180 0.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 25 1 0 0 0 0 2 20 1 0 0 0 0 2 26 1 0 0 0 0 3 22 1 0 0 0 0 3 59 1 0 0 0 0 4 25 1 0 0 0 0 4 32 1 0 0 0 0 5 26 1 0 0 0 0 5 34 1 0 0 0 0 6 27 1 0 0 0 0 6 69 1 0 0 0 0 7 29 1 0 0 0 0 7 70 1 0 0 0 0 8 30 1 0 0 0 0 8 71 1 0 0 0 0 9 31 1 0 0 0 0 9 72 1 0 0 0 0 10 33 1 0 0 0 0 10 73 1 0 0 0 0 11 35 2 0 0 0 0 12 36 1 0 0 0 0 12 78 1 0 0 0 0 13 38 1 0 0 0 0 13 79 1 0 0 0 0 14 21 1 0 0 0 0 14 35 1 0 0 0 0 14 50 1 0 0 0 0 15 23 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 16 28 1 0 0 0 0 16 66 1 0 0 0 0 16 67 1 0 0 0 0 17 37 1 0 0 0 0 17 76 1 0 0 0 0 17 77 1 0 0 0 0 18 40 1 0 0 0 0 18 82 1 0 0 0 0 18 83 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 41 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 20 42 1 0 0 0 0 21 24 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 27 1 0 0 0 0 25 48 1 0 0 0 0 26 29 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 30 1 0 0 0 0 28 52 1 0 0 0 0 29 31 1 0 0 0 0 29 53 1 0 0 0 0 30 32 1 0 0 0 0 30 56 1 0 0 0 0 31 33 1 0 0 0 0 31 57 1 0 0 0 0 32 36 1 0 0 0 0 32 58 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 34 37 1 0 0 0 0 34 61 1 0 0 0 0 35 38 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 38 39 1 0 0 0 0 38 68 1 0 0 0 0 39 40 1 0 0 0 0 39 74 1 0 0 0 0 39 75 1 0 0 0 0 40 80 1 0 0 0 0 40 81 1 0 0 0 0 M END > DB00479 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LKCWBDHBTVXHDL-RMDFUYIESA-N/SDF?record_type=3d > NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O > InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1 > LKCWBDHBTVXHDL-RMDFUYIESA-N > C22H43N5O13 > 585.6025 > 585.285736487 > 17 > 83 > 58.060396682395805 > 0 > 13 > 0 > 0 > (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-{[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide > -3.22 > -8.584382674 > -1.07 > 1 > 3 > 4 > 12.70598939175315 > 12.104233562206012 > 9.794402745081491 > 331.93999999999994 > 129.84099999999992 > 10 > 0 > 4.97e+01 g/l > amikacin > 0 $$$$