5289359 -OEChem-02072016233D 42 43 0 1 0 0 0 0 0999 V2000 -1.6129 -2.6687 -0.1204 P 0 0 1 0 0 0 0 0 0 0 0 0 -1.8421 -1.0544 -0.2335 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -3.0478 1.3011 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.7340 -3.3663 -0.8613 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8825 2.4318 -0.6629 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1937 0.4345 0.5504 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9378 -0.4447 0.4273 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1206 -2.8485 -1.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0131 -1.9865 -0.6888 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9154 1.0415 0.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8742 -0.7594 1.9177 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9307 -2.4650 0.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1558 -0.7010 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1117 1.7379 0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6991 1.6812 -0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1335 -0.3725 0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9909 -1.6581 0.6594 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2159 0.1061 -0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0911 3.1107 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6786 3.0539 -0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8745 3.7687 -0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4978 1.7399 0.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7339 2.2667 0.8268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8553 -0.8686 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3768 -2.6173 -2.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -3.9034 -1.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5755 -0.1367 2.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8699 -0.5921 2.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1531 -1.7980 2.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8293 -3.4641 0.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4482 -0.3177 -1.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0638 1.2348 0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 1.1524 0.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6981 -2.0439 1.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2598 1.0888 -1.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0222 3.6675 -0.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 3.5672 -0.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8584 4.8378 -0.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8192 0.0132 1.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5691 2.3059 1.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9579 3.2738 0.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5850 1.6149 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 2 7 1 0 0 0 0 5 22 2 0 0 0 0 6 16 1 0 0 0 0 6 22 1 0 0 0 0 6 39 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 17 1 0 0 0 0 12 30 1 0 0 0 0 13 18 2 0 0 0 0 13 31 1 0 0 0 0 14 19 1 0 0 0 0 14 32 1 0 0 0 0 15 20 2 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 21 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M CHG 1 3 -1 M END > DB08545 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YPTMOJMDCPUCJT-ZDUSSCGKSA-M/SDF?record_type=3d > [H]N(C(C)=O)C1=CC=C(CP([O-])(=O)O[C@@H](C)C2=CC=CC=C2)C=C1 > InChI=1S/C17H20NO4P/c1-13(16-6-4-3-5-7-16)22-23(20,21)12-15-8-10-17(11-9-15)18-14(2)19/h3-11,13H,12H2,1-2H3,(H,18,19)(H,20,21)/p-1/t13-/m0/s1 > YPTMOJMDCPUCJT-ZDUSSCGKSA-M > C17H19NO4P > 332.3108 > 332.105169613 > 3 > 42 > -0.9999923500937525 > 33.43663075199552 > 1 > 1 > -1 > 1 > (1S)-1-phenylethyl [(4-acetamidophenyl)methyl]phosphonate > 2.51 > 2.559072894 > -3.79 > 0 > -1 > 2 > -1 > 14.360296679239639 > 1.8861288810642596 > -4.386007341004984 > 78.46000000000001 > 89.16940000000004 > 6 > 1 > 5.69e-02 g/l > Ogen > 0 $$$$