445382 -OEChem-11261916453D 30 30 0 1 0 0 0 0 0999 V2000 -0.0841 0.8390 -0.3859 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5014 -2.3702 -0.3206 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4508 0.2424 0.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2909 -2.7257 0.4233 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6541 3.4476 0.0228 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1146 0.7939 1.1215 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9667 -0.5000 -0.4371 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6713 -1.3450 0.2289 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1957 0.0231 -0.2108 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2283 -1.5675 -0.2276 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2020 1.1268 0.1691 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6463 -0.3656 0.1262 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6266 2.4927 -0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0920 0.0944 0.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3358 -0.1860 -0.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -1.4478 1.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3723 0.0150 -1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2165 -1.7616 -1.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1001 1.2041 1.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7602 -0.2764 1.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6869 2.4972 -1.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5938 2.8000 0.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0576 -0.9888 -1.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1306 -3.2249 -0.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2968 0.2885 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2115 -2.8359 0.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2002 3.1609 -0.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2192 0.0552 -0.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3321 0.4290 -1.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3815 -1.2428 -0.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 8 1 0 0 0 0 2 24 1 0 0 0 0 3 9 1 0 0 0 0 3 25 1 0 0 0 0 4 10 1 0 0 0 0 4 26 1 0 0 0 0 5 13 1 0 0 0 0 5 27 1 0 0 0 0 6 14 2 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 M END > DB02320 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IBONACLSSOLHFU-JAJWTYFOSA-N/SDF?record_type=3d > [H]N([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)=O > InChI=1S/C8H15NO6/c1-3(11)9-8-7(14)6(13)5(12)4(2-10)15-8/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1 > IBONACLSSOLHFU-JAJWTYFOSA-N > C8H15NO6 > 221.2078 > 221.089937217 > 6 > 30 > 21.00430387650453 > 1 > 5 > 0 > 0 > N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide > -2.55 > -3.220574411666667 > 0.06 > 0 > 1 > 0 > 12.495691626929943 > 11.474310183279963 > -2.074857083673675 > 119.25 > 47.0247 > 2 > 1 > 2.55e+02 g/l > (2S)-2-{[(1S)-1-{[(1S)-1-carbamoyl-2-carboxyethyl]carbamoyl}-2-phenylethyl]amino}-4-phenylbutanoic acid > 0 $$$$