11281011 -OEChem-10061700083D 53 53 0 1 0 0 0 0 0999 V2000 -0.0107 -4.1657 -0.0001 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 2.1031 -0.3206 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 0.1228 -0.0045 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5897 0.6708 2.6276 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2438 0.5988 -1.8510 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3378 -0.3674 0.7543 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5937 -0.1453 -0.3951 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1003 2.2318 -0.8995 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1813 0.8673 -0.8019 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3321 1.8956 -1.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3376 2.2881 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6784 1.4072 0.5577 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3758 -0.4098 -0.5989 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.5087 -0.4073 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4483 3.7521 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9114 2.2100 1.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3747 -1.3616 -1.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 -0.5740 0.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0832 1.5520 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2518 -2.0027 0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6124 0.4622 1.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5050 -0.5814 -0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6381 -2.5313 -1.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9373 -1.7437 0.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9192 -2.7224 -0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1810 -2.9823 -0.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4293 -2.0829 1.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0662 0.6293 -1.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8946 2.8268 -1.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0893 1.5145 -2.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3522 1.8871 0.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2689 2.3141 0.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8684 1.7261 1.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7173 1.5704 -1.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1063 3.0043 -0.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 3.8259 -0.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1814 4.2832 0.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4913 4.2761 0.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8909 1.1755 2.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6147 2.7602 2.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 2.6421 2.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9303 -1.2190 -2.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6222 0.1612 1.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2248 -2.2681 0.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6327 -3.2850 -2.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3741 -1.8757 1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2318 -2.7862 -0.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0706 -2.9011 -1.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9531 -4.0138 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7321 -1.4090 2.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2414 -3.0987 2.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4431 -1.7933 2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2071 0.0730 3.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 14 1 0 0 0 0 2 19 1 0 0 0 0 3 14 1 0 0 0 0 3 22 1 0 0 0 0 4 21 1 0 0 0 0 4 53 1 0 0 0 0 5 19 2 0 0 0 0 6 21 2 0 0 0 0 7 22 2 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 31 1 0 0 0 0 12 21 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 34 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 23 1 0 0 0 0 17 42 1 0 0 0 0 18 24 2 0 0 0 0 18 43 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 20 44 1 0 0 0 0 23 25 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 M END > DB08892 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JXTAALBWJQJLGN-KSSFIOAISA-N/SDF?record_type=3d > CC(C)[C@H](OC(=O)NC[C@H](CC(O)=O)C1=CC=C(Cl)C=C1)OC(=O)C(C)C > InChI=1S/C19H26ClNO6/c1-11(2)17(24)26-18(12(3)4)27-19(25)21-10-14(9-16(22)23)13-5-7-15(20)8-6-13/h5-8,11-12,14,18H,9-10H2,1-4H3,(H,21,25)(H,22,23)/t14-,18-/m0/s1 > JXTAALBWJQJLGN-KSSFIOAISA-N > C19H26ClNO6 > 399.87 > 399.1448653 > 4 > 53 > 40.471001448430115 > 1 > 2 > 0 > 1 > (3R)-3-(4-chlorophenyl)-4-({[(1S)-2-methyl-1-[(2-methylpropanoyl)oxy]propoxy]carbonyl}amino)butanoic acid > 3.31 > 4.369533635666666 > -4.55 > 0 > 1 > -1 > 14.649629501470312 > 3.956932646315251 > -7.147631692100889 > 101.92999999999999 > 99.07879999999999 > 11 > 1 > 1.11e-02 g/l > arbaclofen placarbil > 0 $$$$