72397 -OEChem-06022318403D 73 75 0 1 0 0 0 0 0999 V2000 -0.9944 -0.5559 0.2046 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8343 -0.1808 0.1305 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8941 0.0587 1.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 -3.0847 2.0798 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8544 0.7842 0.8788 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9777 1.8643 -0.6887 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2082 1.3082 0.4422 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -4.1939 -0.3031 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3874 -3.7960 -0.3849 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9735 -0.0601 -1.5920 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3493 1.9433 1.3417 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0828 2.0988 -1.7323 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6622 -1.8905 0.5939 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8805 -1.5530 0.5275 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6486 -1.8497 1.3989 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5911 -2.7761 -0.6647 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9780 -2.4350 -0.7320 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6507 -2.4402 -1.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4066 -0.3666 0.1650 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2290 1.0307 -0.9430 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7309 0.6720 -0.9184 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4448 0.6546 1.0999 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7771 1.2926 0.4880 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7891 2.0431 1.1135 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3152 0.1926 1.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1822 1.4143 -0.3650 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0860 2.7951 -0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5923 2.8244 -0.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3473 2.6708 1.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7007 1.4527 -0.4765 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8584 0.0344 -3.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2936 0.0475 -0.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4403 -2.2780 1.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7974 -1.7270 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5387 -1.0781 2.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4646 -2.5822 -1.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7458 -2.0155 -1.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5068 -1.4432 -1.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -3.1261 -2.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9086 -1.3066 -0.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3902 1.9539 -1.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3709 0.2956 -1.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3327 0.2327 2.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 2.6207 1.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6192 0.4316 2.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7833 -0.7724 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7721 0.8052 -1.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5863 2.3096 -1.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7018 3.8210 -0.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5096 -4.3985 0.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6304 -4.7636 -1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4926 -4.3500 -1.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3032 -3.7764 0.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0552 3.4586 0.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7705 3.2954 -1.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6486 -2.9977 2.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2730 2.7424 1.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8602 2.8989 1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6343 3.4629 0.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9596 0.0137 -1.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1219 2.0259 0.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1683 2.4776 -1.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1733 1.4928 2.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0555 2.8766 1.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5377 1.4080 1.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2420 0.9878 -3.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4583 -0.7600 -3.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8342 -0.1054 -3.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0767 -0.4295 0.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8969 -0.5963 -1.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3840 0.0773 -0.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0913 2.0248 -1.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8855 3.0973 -1.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 19 1 0 0 0 0 2 14 1 0 0 0 0 2 22 1 0 0 0 0 3 19 1 0 0 0 0 3 25 1 0 0 0 0 4 15 1 0 0 0 0 4 56 1 0 0 0 0 5 22 1 0 0 0 0 5 26 1 0 0 0 0 6 21 1 0 0 0 0 6 62 1 0 0 0 0 7 23 1 0 0 0 0 7 65 1 0 0 0 0 8 16 1 0 0 0 0 8 50 1 0 0 0 0 8 51 1 0 0 0 0 9 17 1 0 0 0 0 9 52 1 0 0 0 0 9 53 1 0 0 0 0 10 20 1 0 0 0 0 10 31 1 0 0 0 0 10 60 1 0 0 0 0 11 24 1 0 0 0 0 11 63 1 0 0 0 0 11 64 1 0 0 0 0 12 30 1 0 0 0 0 12 72 1 0 0 0 0 12 73 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 21 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 24 1 0 0 0 0 22 43 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 0 0 0 0 24 27 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 32 1 0 0 0 0 30 61 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 M END > DB17884 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XUFIWSHGXVLULG-IDLVJFIQSA-N/SDF?record_type=3d > [H][C@]1(CC[C@@H](N)[C@@]([H])(O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1)[C@@H](C)N > InChI=1S/C20H41N5O7/c1-8(21)12-5-4-9(22)18(30-12)31-15-10(23)6-11(24)16(13(15)26)32-19-14(27)17(25-3)20(2,28)7-29-19/h8-19,25-28H,4-7,21-24H2,1-3H3/t8-,9-,10+,11-,12+,13-,14+,15-,16+,17-,18+,19+,20-/m1/s1 > XUFIWSHGXVLULG-IDLVJFIQSA-N > C20H41N5O7 > 463.576 > 463.30059868 > 12 > 73 > 5.000442830235558 > 49.14958603392913 > 0 > 8 > 0 > 0 > (2R,3R,4R,5R)-2-{[(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2R,3R,6S)-3-amino-6-[(1R)-1-aminoethyl]oxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diol > -3.5697359230000005 > 1 > 5 > 3 > 5 > 213.71999999999997 > 113.24610000000003 > 6 > 0 > gentamicin c2 > 0 $$$$