42609673 -OEChem-10051721263D 64 64 0 1 0 0 0 0 0999 V2000 0.3846 5.2245 -1.2223 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0825 -0.1595 -1.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2375 -0.7155 1.6594 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2193 -3.2719 -0.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1312 -0.0102 -0.1208 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 3.7084 -0.0922 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8066 -1.1394 0.6023 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7362 1.9308 0.8069 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6031 -1.7861 -1.4285 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7791 0.2765 -0.3505 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5811 3.1775 -0.1923 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5875 -1.0646 0.1490 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0193 -0.7697 1.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4478 0.2230 0.3052 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1869 -2.1024 -0.8312 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2213 -0.9467 0.3836 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4085 -3.4237 -0.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1581 -0.7246 -0.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8721 1.2142 1.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4405 0.4226 2.5025 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8867 -2.0258 2.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5163 -0.5040 1.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9062 -0.1323 0.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6679 -2.1367 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 -4.1899 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1024 -4.3066 -2.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8601 3.1363 0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1436 -2.7494 -2.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 3.7358 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0902 5.1308 -1.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5465 3.9786 -0.7704 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5495 -1.5350 1.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4446 0.7272 -0.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2076 -2.3508 -0.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2796 -1.6321 -1.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3355 -0.0334 -0.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4024 -3.2064 -1.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5109 -1.6604 1.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6376 1.9405 1.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5477 0.6935 2.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3951 0.2597 2.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0032 0.5911 3.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 1.3451 1.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4435 -1.8974 3.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2977 -2.9137 2.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8507 -2.2400 2.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6554 0.3649 0.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0463 -0.3033 2.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0050 -1.3631 0.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2577 -4.3860 0.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 -5.1538 0.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6766 -3.6402 1.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1161 -4.5750 -1.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5410 -5.2332 -2.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1726 -3.7897 -2.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1898 1.5408 0.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9513 -0.8331 -1.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5644 0.8665 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9282 -3.3171 -1.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5651 -2.2132 -3.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3576 -3.4311 -2.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2152 -0.8458 -0.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6587 5.8961 -1.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5829 3.6728 -0.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 18 2 0 0 0 0 3 23 2 0 0 0 0 4 24 2 0 0 0 0 5 10 1 0 0 0 0 5 62 1 0 0 0 0 6 27 2 0 0 0 0 7 16 1 0 0 0 0 7 18 1 0 0 0 0 7 38 1 0 0 0 0 8 19 1 0 0 0 0 8 27 1 0 0 0 0 8 56 1 0 0 0 0 9 24 1 0 0 0 0 9 28 1 0 0 0 0 9 57 1 0 0 0 0 10 23 1 0 0 0 0 10 58 1 0 0 0 0 11 29 2 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 18 1 0 0 0 0 12 32 1 0 0 0 0 13 16 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 19 1 0 0 0 0 14 23 1 0 0 0 0 14 33 1 0 0 0 0 15 17 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 24 1 0 0 0 0 16 36 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 17 37 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 29 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 30 31 2 0 0 0 0 30 63 1 0 0 0 0 31 64 1 0 0 0 0 M END > DB08733 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GAHIXYNNFMCKFQ-HZSPNIEDSA-N/SDF?record_type=3d > [H][C@@](CNC(=O)C1=NC=CS1)(C(=O)NO)[C@@]([H])(CC(C)C)C(=O)N[C@]([H])(C(=O)NC)C(C)(C)C > InChI=1S/C20H33N5O5S/c1-11(2)9-12(15(26)24-14(17(28)21-6)20(3,4)5)13(16(27)25-30)10-23-18(29)19-22-7-8-31-19/h7-8,11-14,30H,9-10H2,1-6H3,(H,21,28)(H,23,29)(H,24,26)(H,25,27)/t12-,13+,14-/m1/s1 > GAHIXYNNFMCKFQ-HZSPNIEDSA-N > C20H33N5O5S > 455.572 > 455.220239881 > 6 > 64 > -0.01390977240824993 > 47.951070524772334 > 1 > 5 > 0 > 1 > (2R,3R)-N-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N'-hydroxy-2-(2-methylpropyl)-3-{[(1,3-thiazol-2-yl)formamido]methyl}butanediamide > 0.88 > 0.5209379563333338 > -4.36 > 0 > 0 > 1 > 0 > 11.887026004366417 > 8.851152651810255 > 0.05435311122330804 > 149.52000000000004 > 115.66549999999997 > 11 > 1 > 2.01e-02 g/l > biotin > 0 $$$$