9543420 -OEChem-10051721223D 53 54 0 1 0 0 0 0 0999 V2000 -0.4703 1.1722 0.3264 P 0 0 1 0 0 0 0 0 0 0 0 0 -1.7936 1.8374 0.0275 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1548 -2.3008 1.7979 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 -1.2818 3.4039 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3149 -0.3717 -0.3142 N 0 0 1 0 0 0 0 0 0 0 0 0 1.9941 -0.9295 2.0495 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9581 -1.0645 -0.1251 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1132 -2.2660 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4424 -3.0410 -0.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4046 -1.3134 -0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 2.1016 -0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9768 -1.5136 1.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3313 0.9707 2.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5212 -4.2163 -1.9334 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6168 -2.0885 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7579 -0.6760 -0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5316 3.0079 0.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4994 1.9107 -1.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3573 -0.0437 0.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3866 -0.7294 -1.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6561 3.7364 0.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 2.6392 -1.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2022 3.5520 -0.9409 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6109 0.5471 0.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6402 -0.1385 -1.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2522 0.4997 -0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7876 -0.3841 -0.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -3.0221 -0.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9852 -1.9224 -2.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 -3.4474 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4982 -1.6714 0.9966 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4027 -2.1884 -0.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8528 1.8159 2.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 0.0688 2.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6931 1.0258 2.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4598 -3.8745 -2.9721 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6991 -4.9183 -1.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4611 -4.7647 -1.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5030 -1.5462 -2.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7257 -1.3590 -0.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5600 -2.6444 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1099 3.1844 1.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0496 1.2178 -2.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6389 -0.2202 1.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9018 -0.0253 1.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9178 -1.2211 -2.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1032 4.4512 1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0469 2.4986 -2.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0765 4.1207 -1.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0914 1.0365 1.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1395 -0.1749 -2.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2290 0.9582 -0.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 -0.4353 3.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 3 12 2 0 0 0 0 4 6 1 0 0 0 0 4 53 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 12 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 30 1 0 0 0 0 10 16 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 42 1 0 0 0 0 18 22 2 0 0 0 0 18 43 1 0 0 0 0 19 24 1 0 0 0 0 19 45 1 0 0 0 0 20 25 2 0 0 0 0 20 46 1 0 0 0 0 21 23 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 24 26 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 M END > DB08507 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KGUVBHLPMGERAT-NIYFSFCBSA-N/SDF?record_type=3d > [H][C@](CC(C)C)(N(CC1=CC=CC=C1)[P@](C)(=O)C1=CC=CC=C1)C(=O)NO > InChI=1S/C20H27N2O3P/c1-16(2)14-19(20(23)21-24)22(15-17-10-6-4-7-11-17)26(3,25)18-12-8-5-9-13-18/h4-13,16,19,24H,14-15H2,1-3H3,(H,21,23)/t19-,26-/m1/s1 > KGUVBHLPMGERAT-NIYFSFCBSA-N > C20H27N2O3P > 374.4137 > 374.175929252 > 3 > 53 > -0.018756042977567392 > 38.83057069131977 > 1 > 2 > 0 > 1 > (2R)-2-{benzyl[(R)-methyl(phenyl)phosphoryl]amino}-N-hydroxy-4-methylpentanamide > 2.35 > 3.0419999999999994 > -4.72 > 0 > 0 > 2 > 0 > 16.778789132707743 > 8.718431402953188 > 1.9378399429532862 > 69.64000000000001 > 104.4078 > 8 > 1 > 7.15e-03 g/l > biotin > 0 $$$$