122671 -OEChem-11261916543D 32 34 0 1 0 0 0 0 0999 V2000 -2.1078 0.4991 -0.9884 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2393 -2.2756 1.1147 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5193 -2.1513 -0.3793 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8564 2.5947 -0.3516 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6463 1.3519 0.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7056 1.8515 0.3762 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8874 -1.5025 -0.5410 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1909 -0.8213 -0.2034 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1168 -0.3942 -0.4300 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7578 -0.9942 0.8179 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2279 -1.0256 0.4485 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3871 0.2525 -0.3643 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1920 0.2935 -0.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7418 1.4613 0.4908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4796 -0.2605 -0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3589 1.6108 0.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4039 0.7049 0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8332 0.4832 0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2563 -1.6782 -0.5008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9457 -1.1754 -1.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6117 -0.3461 1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8917 -1.0803 1.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1167 0.1398 -1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6949 1.3091 1.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9617 1.6748 1.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3556 2.4034 0.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2879 -2.1758 1.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2912 -2.9486 0.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1115 2.7364 0.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2663 -2.2652 -0.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0849 3.3512 0.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5422 -2.7085 -0.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 10 1 0 0 0 0 2 27 1 0 0 0 0 3 11 1 0 0 0 0 3 28 1 0 0 0 0 4 14 1 0 0 0 0 4 31 1 0 0 0 0 5 18 2 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 29 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 7 30 1 0 0 0 0 8 18 1 0 0 0 0 8 19 2 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 17 2 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 19 32 1 0 0 0 0 M END > DB02796 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WKDMPDYUJKSXBW-KBHCAIDQSA-N/SDF?record_type=3d > [H]N1C=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=CN2[H] > InChI=1S/C11H13N3O5/c15-2-5-8(16)9(17)10(19-5)4-1-12-7-6(4)13-3-14-11(7)18/h1,3,5,8-10,12,15-17H,2H2,(H,13,14,18)/t5-,8-,9-,10+/m1/s1 > WKDMPDYUJKSXBW-KBHCAIDQSA-N > C11H13N3O5 > 267.238 > 267.085520541 > 7 > 32 > 24.605629409297 > 1 > 5 > 0 > 0 > 7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one > -1.16 > -1.884748132666667 > -1.40 > 0 > 3 > 0 > 12.868475421212274 > 12.284690802338263 > -0.3046612618303514 > 127.17 > 64.25810000000001 > 2 > 1 > 1.06e+01 g/l > (2S)-2-{[(1S)-1-{[(1S)-1-carbamoyl-2-carboxyethyl]carbamoyl}-2-phenylethyl]amino}-4-phenylbutanoic acid > 0 $$$$