25023710 -OEChem-11201922323D 40 41 0 1 0 0 0 0 0999 V2000 1.8508 -0.4922 1.4650 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.5754 2.0911 0.3492 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7945 0.8393 -0.9185 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2872 1.3957 -1.8482 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7889 -0.0421 -0.8596 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4312 -1.5116 0.5599 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7881 0.6327 0.3832 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1575 0.0355 0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8964 2.0075 1.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9455 0.7111 -0.8873 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0403 0.0203 1.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0162 -1.3745 -0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6116 -0.6921 0.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5139 -1.7638 -0.3462 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6038 -0.7301 -0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0115 -3.1953 -0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3676 -0.3172 -1.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8435 -0.1900 1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3714 0.6359 -1.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8474 0.7633 1.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6112 1.1762 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5269 2.6828 0.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9129 2.4908 1.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3022 1.9714 2.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6065 -0.5292 2.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3022 1.0309 1.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0020 -0.4558 1.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6605 -2.1168 0.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3789 -1.4054 -1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9955 -1.7312 -0.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1438 -1.6960 -1.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6786 0.4705 -1.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4591 -1.9480 1.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2003 -3.9146 -0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8158 -3.4287 -0.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4023 -3.3545 0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1918 -0.7315 -2.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2796 -0.5018 1.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9666 0.9574 -1.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0374 1.1815 2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 21 1 0 0 0 0 3 8 1 0 0 0 0 3 32 1 0 0 0 0 4 10 2 0 0 0 0 5 10 1 0 0 0 0 5 13 2 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 M END > DB07017 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HYVZYASDRIAOPU-BJOHPYRUSA-N/SDF?record_type=3d > C[C@H](NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)C1=CC=C(F)C=C1 > InChI=1S/C15H19FN2O2S/c1-9(10-5-7-11(16)8-6-10)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15+/m0/s1 > HYVZYASDRIAOPU-BJOHPYRUSA-N > C15H19FN2O2S > 310.387 > 310.115126757 > 4 > 40 > 31.007725468625587 > 1 > 2 > 0 > 1 > (5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(2-hydroxypropan-2-yl)-5-methyl-4,5-dihydro-1,3-thiazol-4-one > 2.65 > 2.5530919396666665 > -3.70 > 0 > 2 > 0 > 18.577812716333977 > 14.186054285240315 > -0.281709126361181 > 61.69 > 81.34909999999999 > 3 > 1 > 6.22e-02 g/l > 4-{[2-amino-2-({2-carboxy-1-[(1-carboxy-2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)ethyl]carbamoyl}-2-[(4-{[(4-oxo-1H-pteridin-6-yl)methyl]amino}phenyl)formamido]butanoic acid > 0 $$$$