73303 -OEChem-03022015163D 51 53 0 1 0 0 0 0 0999 V2000 -0.3641 0.4060 1.3163 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.8814 0.2838 0.2905 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9614 1.9382 0.2883 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7501 -1.0165 -1.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2584 2.9412 -1.2889 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9911 3.1980 0.5974 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9319 -0.2274 1.1506 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2219 1.5381 0.5996 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1522 0.5743 -0.3670 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3765 -1.3095 -1.6699 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6848 -0.9433 0.0945 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4959 0.3689 -1.3098 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2190 -0.8739 -0.0835 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6716 -0.5977 0.4180 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9506 -1.1473 0.7522 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3903 0.8872 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2127 0.1779 0.6735 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9666 1.0987 0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8894 -1.1621 -0.2689 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2255 -1.6277 2.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2845 -0.8103 0.3406 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7724 -0.8109 0.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3836 -1.4421 -0.6049 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2713 -0.5026 -1.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0768 -2.6395 0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6703 2.5122 -0.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7176 -0.8137 -0.9864 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1912 -1.4492 -1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7745 -0.7329 1.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3705 -1.9200 0.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7848 -0.6093 0.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2977 -1.8967 2.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8704 -2.5128 2.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7291 -0.8596 2.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8862 -1.8143 0.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0021 -1.3887 1.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1453 0.2118 0.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5315 -2.5142 -0.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4689 0.5574 -1.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -0.7837 -1.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2188 -3.2280 -0.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9608 -3.0391 -0.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1895 -2.7947 1.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7644 -0.8823 -2.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1204 -1.3055 -1.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5646 0.2443 -1.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -1.3762 -2.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0193 -1.9077 0.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0798 3.8905 -1.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0435 1.2116 -1.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9818 -0.4744 -1.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 21 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 16 2 0 0 0 0 4 19 1 0 0 0 0 4 47 1 0 0 0 0 5 26 1 0 0 0 0 5 49 1 0 0 0 0 6 26 2 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 9 18 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 44 1 0 0 0 0 11 27 1 0 0 0 0 11 48 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 14 29 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 15 30 1 0 0 0 0 17 18 2 0 0 0 0 18 26 1 0 0 0 0 19 25 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 27 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 M END > DB06211 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AVAACINZEOAHHE-VFZPANTDSA-N/SDF?record_type=3d > [H][C@]12[C@@H](C)C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O > InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1 > AVAACINZEOAHHE-VFZPANTDSA-N > C15H24N4O6S2 > 420.504 > 420.1137259 > 8 > 51 > -0.0028819792092648266 > 42.368660999832606 > 1 > 5 > 0 > 0 > (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-{[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl}-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid > -1.27 > -5.563490933465321 > -2.13 > 1 > 0 > 3 > 0 > 11.074375998651576 > 3.3430064043239622 > 9.514032897858348 > 162.05999999999997 > 99.88020000000002 > 6 > 1 > 3.13e+00 g/l > rabeximod > 0 $$$$