36119 -OEChem-10051722493D 68 70 0 1 0 0 0 0 0999 V2000 -0.9331 -0.4829 0.1286 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8251 -0.3005 -0.5836 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5679 0.4890 1.5034 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2296 -2.5802 2.1836 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0509 1.7140 -1.1147 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0019 1.6378 0.8522 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9814 0.6426 -0.5063 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7102 -4.1495 0.4876 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2363 -3.9579 -0.2750 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1731 -0.2176 -0.9930 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9024 2.4756 -1.5733 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7043 0.2279 0.3687 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5388 -1.6993 0.7674 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9405 -1.5350 0.1275 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9077 -1.5390 1.2669 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7299 -2.8674 -0.2186 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7753 -2.7013 -0.8656 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3178 -2.8201 -1.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 -0.2391 0.2990 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3152 0.9551 -0.7606 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8404 0.5389 -0.9210 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5872 1.5634 0.6439 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9606 0.6922 1.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6416 0.7105 0.0025 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0589 3.0034 0.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0136 2.1044 -0.1571 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8876 3.1274 0.5783 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9757 -0.7345 -2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8024 1.6859 -0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3481 2.8375 0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2573 1.4188 -0.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1681 -1.8649 1.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9546 -1.6188 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9605 -0.5964 1.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7113 -2.7857 -0.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3993 -2.5028 -1.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0953 -1.9534 -1.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2064 -3.6961 -2.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8705 -1.1909 0.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5817 1.7163 -1.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6404 -0.0497 -1.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4668 -0.2765 1.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0679 1.1782 2.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8789 -4.9073 -0.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4717 -4.1806 1.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 -4.7216 -0.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6773 -4.1807 0.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7103 0.5285 1.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1248 -2.4088 2.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 3.0627 0.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4570 3.6244 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4009 3.4663 1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9905 -0.9497 -0.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9995 2.1058 0.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3745 2.1570 -1.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3592 0.7362 0.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6679 4.1476 0.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 3.0980 1.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0923 -1.3743 -2.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9359 0.0554 -3.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8323 -1.3685 -2.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0454 3.6126 0.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5402 3.4250 -1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8247 2.4864 -2.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4294 1.2783 -1.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8734 2.2707 -0.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6804 0.0456 0.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6834 0.3990 1.3737 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 24 1 0 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 4 15 1 0 0 0 0 4 49 1 0 0 0 0 5 21 1 0 0 0 0 5 55 1 0 0 0 0 6 22 1 0 0 0 0 6 56 1 0 0 0 0 7 24 1 0 0 0 0 7 29 1 0 0 0 0 8 16 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 17 1 0 0 0 0 9 46 1 0 0 0 0 9 47 1 0 0 0 0 10 20 1 0 0 0 0 10 28 1 0 0 0 0 10 53 1 0 0 0 0 11 26 1 0 0 0 0 11 63 1 0 0 0 0 11 64 1 0 0 0 0 12 31 1 0 0 0 0 12 67 1 0 0 0 0 12 68 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 23 1 0 0 0 0 22 25 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 26 1 0 0 0 0 24 48 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 27 30 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 62 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 M END > DB12604 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/URWAJWIAIPFPJE-YFMIWBNJSA-N/SDF?record_type=3d > [H][C@@]1(N)CC=C(CN)O[C@]1([H])O[C@]1([H])[C@@]([H])(N)C[C@@]([H])(N)[C@]([H])(O[C@@]2([H])OC[C@](C)(O)[C@]([H])(NC)[C@@]2([H])O)[C@@]1([H])O > InChI=1S/C19H37N5O7/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/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1 > URWAJWIAIPFPJE-YFMIWBNJSA-N > C19H37N5O7 > 447.5264 > 447.269298563 > 12 > 68 > 4.736532528221218 > 46.66768517432755 > 0 > 8 > 0 > 0 > (2R,3R,4R,5R)-2-{[(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diol > -2.03 > -4.318567550666666 > -1.46 > 1 > 5 > 3 > 5 > 13.159155802521832 > 12.548251763563155 > 9.738114223543352 > 213.71999999999994 > 110.32069999999999 > 6 > 0 > 1.56e+01 g/l > biotin > 0 $$$$