5289332 -OEChem-10051721223D 65 65 0 1 0 0 0 0 0999 V2000 3.6615 0.1316 2.2174 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0491 1.1044 1.2281 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 -0.2128 1.5512 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1481 -0.0437 -0.2215 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4805 -0.6419 -1.6831 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2129 -0.1411 -0.2746 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 0.9413 -0.0217 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1640 -1.1301 0.1941 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7160 -1.8974 -1.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6365 -3.0921 -0.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2537 -0.4847 1.0732 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2415 1.2493 -0.3065 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6162 2.6762 0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 0.2356 0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2182 3.7878 -0.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0957 0.5502 0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9361 -4.1621 0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1468 -3.7106 -2.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1622 5.1824 -0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0453 3.7193 -2.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8826 0.0218 -0.7332 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8733 2.0655 0.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0358 -0.9632 -0.8672 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3729 -0.9120 -0.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6424 -1.7601 0.8861 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3463 -0.0161 -0.6305 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8851 -1.7125 1.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5890 0.0315 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8584 -0.8167 1.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5928 -1.8215 0.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8616 -2.2679 -1.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2377 -1.2041 -1.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5126 -2.7366 -0.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9145 -1.2624 1.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4189 0.3365 -1.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4063 1.1071 -1.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6821 2.8439 -0.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5053 2.7697 1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2788 3.6345 -0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4617 1.3649 -0.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6244 0.0925 -0.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5865 -5.0321 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6822 -3.7852 1.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0145 -4.5047 -0.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6866 -2.9682 -2.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8357 -4.5372 -1.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3213 -4.0995 -2.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 1.3854 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0247 5.2541 1.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4622 5.9501 -0.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2096 5.4114 -0.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4838 2.8079 -2.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5518 4.5619 -2.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0117 3.7565 -2.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3790 0.5311 2.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4381 1.6035 -0.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2706 2.8954 0.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5813 2.4584 1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1390 -0.6963 -1.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6220 -1.9778 -0.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8915 -2.4608 1.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1476 0.6512 -1.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0947 -2.3724 2.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3467 0.7294 -0.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8259 -0.7793 1.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 55 1 0 0 0 0 2 16 1 0 0 0 0 2 22 1 0 0 0 0 3 14 2 0 0 0 0 4 21 1 0 0 0 0 4 23 1 0 0 0 0 5 21 2 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 35 1 0 0 0 0 7 12 1 0 0 0 0 7 21 1 0 0 0 0 7 48 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 33 1 0 0 0 0 11 16 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 24 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 61 1 0 0 0 0 26 28 2 0 0 0 0 26 62 1 0 0 0 0 27 29 2 0 0 0 0 27 63 1 0 0 0 0 28 29 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 M END > DB08526 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LHCNZPLAATYYPI-SLFFLAALSA-N/SDF?record_type=3d > [H][C@@](O)(COC)[C@]([H])(CC(C)C)NC(=O)[C@]([H])(CC(C)C)NC(=O)OCC1=CC=CC=C1 > InChI=1S/C22H36N2O5/c1-15(2)11-18(20(25)14-28-5)23-21(26)19(12-16(3)4)24-22(27)29-13-17-9-7-6-8-10-17/h6-10,15-16,18-20,25H,11-14H2,1-5H3,(H,23,26)(H,24,27)/t18-,19-,20+/m0/s1 > LHCNZPLAATYYPI-SLFFLAALSA-N > C22H36N2O5 > 408.5316 > 408.262422272 > 4 > 65 > -5.159148486326808e-07 > 46.186678839319086 > 1 > 3 > 0 > 1 > benzyl N-[(1S)-1-{[(2S,3S)-2-hydroxy-1-methoxy-5-methylhexan-3-yl]carbamoyl}-3-methylbutyl]carbamate > 2.26 > 3.248117880666668 > -4.02 > 0 > 0 > 1 > 0 > 13.997694178998383 > 13.383445689463246 > -2.7966455253621136 > 96.89000000000001 > 111.66819999999998 > 13 > 1 > 3.93e-02 g/l > tetrahydrofolic acid > 0 $$$$