9811837 -OEChem-01272015373D 66 67 0 1 0 0 0 0 0999 V2000 -4.8933 2.0287 -0.3543 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8529 -1.0785 0.1442 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.6578 0.1483 0.2503 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0015 -0.5940 -1.2818 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3205 1.8808 -0.0743 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7700 -3.1374 -0.7179 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0609 -0.2738 -0.8499 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8721 -3.3224 1.3965 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2264 -0.8261 1.0638 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6011 -2.7229 0.2591 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5429 1.9266 1.8478 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6531 2.9805 2.0101 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4695 -0.2292 0.9083 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8172 0.5039 1.0999 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5692 -3.3403 -0.5720 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0138 1.7228 -2.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8356 0.7189 -1.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 0.7564 1.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3509 1.2797 -0.3926 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7861 1.3192 0.8649 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3989 0.1312 2.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8522 0.7714 2.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5304 0.7142 2.4285 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9443 -4.7858 -0.8687 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4668 1.0443 -3.7745 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8459 2.9452 -2.9121 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7928 0.6191 -0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7468 -3.2713 0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6738 2.3388 1.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2605 2.1425 -1.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0818 -3.0530 -0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7468 3.5711 -1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0929 -2.9090 -1.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9587 -1.5338 1.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6147 -3.1476 1.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0402 1.2657 0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4809 -2.7900 -1.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1575 2.0732 -1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2364 -0.1782 -1.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6770 0.3591 -2.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1475 -0.0449 2.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2510 1.1867 3.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3697 0.0193 2.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9353 1.7294 2.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8444 0.5713 3.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0255 -5.3783 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1801 -5.2608 -1.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9001 -4.8448 -1.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2786 0.6879 -4.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8503 1.7376 -4.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 0.1850 -3.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7888 2.6540 -3.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0626 3.5826 -2.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2953 3.5689 -3.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7747 1.9967 -2.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1082 1.4541 -1.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 -2.1810 0.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2918 -3.9604 0.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5124 3.2828 1.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5633 3.1835 3.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9074 4.2709 -1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2186 3.7372 -0.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4689 3.8057 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8623 -2.0463 -1.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0682 -3.7884 -1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1044 -2.7974 -0.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 29 1 0 0 0 0 2 4 2 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 3 13 1 0 0 0 0 3 18 1 0 0 0 0 5 27 1 0 0 0 0 5 30 1 0 0 0 0 6 28 1 0 0 0 0 6 31 1 0 0 0 0 7 27 2 0 0 0 0 8 28 2 0 0 0 0 9 14 1 0 0 0 0 9 34 1 0 0 0 0 10 15 1 0 0 0 0 10 35 1 0 0 0 0 11 20 1 0 0 0 0 11 29 2 0 0 0 0 12 29 1 0 0 0 0 12 59 1 0 0 0 0 12 60 1 0 0 0 0 13 21 2 0 0 0 0 14 23 1 0 0 0 0 14 27 1 0 0 0 0 14 36 1 0 0 0 0 15 24 1 0 0 0 0 15 28 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 20 1 0 0 0 0 18 22 2 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 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 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 30 32 1 0 0 0 0 30 55 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 31 58 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 M END > DB05518 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BYKBUQDQTLDNLE-KBPBESRZSA-N/SDF?record_type=3d > [H][C@@](C)(NP(=O)(N[C@@]([H])(C)C(=O)OCC)C1=CC=C(O1)C1=C(CC(C)C)SC(N)=N1)C(=O)OCC > InChI=1S/C21H33N4O6PS/c1-7-29-19(26)13(5)24-32(28,25-14(6)20(27)30-8-2)17-10-9-15(31-17)18-16(11-12(3)4)33-21(22)23-18/h9-10,12-14H,7-8,11H2,1-6H3,(H2,22,23)(H2,24,25,28)/t13-,14-/m0/s1 > BYKBUQDQTLDNLE-KBPBESRZSA-N > C21H33N4O6PS > 500.55 > 500.185842971 > 5 > 66 > 0.000815117391066297 > 51.234752991823896 > 0 > 3 > 0 > 0 > ethyl (2S)-2-[({5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}({[(2S)-1-ethoxy-1-oxopropan-2-yl]amino})phosphoryl)amino]propanoate > 2.14 > 2.7359000000000004 > -3.86 > 0 > 0 > 2 > 0 > 19.243297728754712 > 17.323684381582417 > 3.911574335085386 > 145.77999999999997 > 124.82340000000002 > 14 > 0 > 6.86e-02 g/l > prinomastat > 0 $$$$