72396 -OEChem-11131818413D 70 72 0 1 0 0 0 0 0999 V2000 -0.7899 -0.5547 0.1988 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0374 -0.1747 0.0996 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6798 0.0576 1.4481 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0714 -3.0784 2.0604 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0623 0.7946 0.8294 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7852 1.8627 -0.6883 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0047 1.3002 0.4799 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4284 -4.1926 -0.3084 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5925 -3.7895 -0.4170 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7853 -0.0679 -1.5636 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5592 1.9480 1.3217 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3005 2.0857 -1.7962 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4518 -1.8884 0.5865 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0895 -1.5465 0.4976 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8658 -1.8445 1.3800 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3901 -2.7752 -0.6718 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1777 -2.4295 -0.7619 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8437 -2.4379 -1.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2026 -0.3680 0.1712 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0372 1.0249 -0.9221 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5382 0.6689 -0.9103 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5732 1.2873 0.5133 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6549 0.6628 1.0629 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9968 2.0501 1.0808 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1009 0.1891 1.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2811 2.8013 -0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3781 1.4241 -0.4179 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7851 2.8331 -0.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1413 2.6668 1.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8954 1.4651 -0.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6830 0.0254 -3.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2233 -2.2766 1.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0116 -1.7183 1.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7613 -1.0723 2.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2695 -2.5834 -1.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9389 -2.0093 -1.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -1.4415 -1.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9057 -3.1245 -2.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7052 -1.3091 -0.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2050 1.9472 -1.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1859 0.2922 -1.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5522 0.2417 2.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4438 2.6293 1.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5693 -0.7770 1.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3964 0.4285 2.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4301 -4.7632 -1.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2983 -4.3983 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6912 -4.3441 -1.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5121 -3.7678 0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7751 2.3141 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8957 3.8266 -0.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8784 -2.9894 2.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9703 0.8099 -1.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2528 3.4663 0.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9693 3.3023 -1.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4358 3.4576 0.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6464 2.8949 1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0656 2.7405 1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7693 0.0044 -1.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9834 2.4750 -1.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3265 1.4005 1.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2994 0.4475 -0.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3324 2.0153 0.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1533 2.8806 1.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3919 1.4981 2.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6616 -0.1130 -3.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0716 0.9777 -3.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2854 -0.7706 -3.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9278 1.5519 -2.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3153 2.0470 -1.8808 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 23 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 52 1 0 0 0 0 5 23 1 0 0 0 0 5 27 1 0 0 0 0 6 21 1 0 0 0 0 6 60 1 0 0 0 0 7 22 1 0 0 0 0 7 61 1 0 0 0 0 8 16 1 0 0 0 0 8 46 1 0 0 0 0 8 47 1 0 0 0 0 9 17 1 0 0 0 0 9 48 1 0 0 0 0 9 49 1 0 0 0 0 10 20 1 0 0 0 0 10 31 1 0 0 0 0 10 59 1 0 0 0 0 11 24 1 0 0 0 0 11 64 1 0 0 0 0 11 65 1 0 0 0 0 12 30 1 0 0 0 0 12 69 1 0 0 0 0 12 70 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 25 1 0 0 0 0 22 29 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 28 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 62 1 0 0 0 0 30 63 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 M END > DB04729 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VEGXETMJINRLTH-BOZYPMBZSA-N/SDF?record_type=3d > CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H]2O)OC[C@]1(C)O > InChI=1S/C19H39N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h8-18,24-27H,3-7,20-23H2,1-2H3/t8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1 > VEGXETMJINRLTH-BOZYPMBZSA-N > C19H39N5O7 > 449.5423 > 449.284948627 > 12 > 70 > 47.351159350515935 > 0 > 8 > 0 > 0 > (2R,3R,4R,5R)-2-{[(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diol > -2.24 > -3.9863109476666665 > -1.34 > 1 > 3 > 5 > 13.159228031928965 > 12.548486195889797 > 9.898564301835346 > 213.72 > 108.8273 > 6 > 0 > 2.05e+01 g/l > gentamicin C1A > 0 $$$$