93184 -OEChem-10051722093D 61 65 0 1 0 0 0 0 0999 V2000 -3.2929 0.7397 1.0867 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1407 -2.5535 -1.7147 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7119 0.3928 -0.6033 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2829 -1.6622 0.2851 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2312 -1.1454 1.5788 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0157 -0.1168 -0.9893 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4073 -1.3438 0.9031 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6571 -1.2830 0.2062 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5259 -1.3292 -0.3358 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5834 -1.0646 1.1799 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0838 1.0457 0.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4639 -0.1559 -0.2156 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6935 -1.9544 0.3011 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9207 -2.0780 -0.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8628 1.1310 1.9958 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2004 2.3661 -0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8948 -0.5831 -0.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3755 -0.9723 0.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6966 -0.3192 -0.5026 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4581 1.1798 -0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1173 -0.6623 -0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6501 0.3872 0.8793 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2988 0.9804 1.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3770 -1.0548 0.4254 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3574 0.2144 0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9695 -0.9410 -0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0354 0.5054 0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3281 -0.3785 -0.6778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3478 1.6913 -1.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0533 1.9907 0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2722 -1.8293 -0.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9419 -1.5375 -1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5671 3.0678 -1.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8339 3.3671 0.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0237 3.9056 -0.6682 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8235 -1.4576 2.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2283 0.0329 -1.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4289 -2.9132 0.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4639 1.9190 2.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9165 1.3739 1.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8348 0.1894 2.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6223 2.3502 -1.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2413 2.5792 -0.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8418 3.2104 0.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5465 -1.1411 -1.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6043 -0.7453 -1.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6565 0.1318 -0.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0420 0.9627 0.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3993 0.4398 1.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2601 2.0577 1.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0893 0.7705 2.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4252 -1.7510 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0734 -1.3648 -0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5614 1.3967 0.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8123 1.0480 -2.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6736 1.5933 1.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7410 -2.7309 -1.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3787 -2.2206 -1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1988 3.4869 -2.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2905 4.0194 1.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1483 4.9771 -0.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 14 2 0 0 0 0 3 17 1 0 0 0 0 3 47 1 0 0 0 0 4 17 2 0 0 0 0 5 18 2 0 0 0 0 6 21 1 0 0 0 0 6 28 1 0 0 0 0 7 21 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 9 13 1 0 0 0 0 9 18 1 0 0 0 0 9 45 1 0 0 0 0 10 13 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 20 29 2 0 0 0 0 20 30 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 25 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 26 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 31 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 32 1 0 0 0 0 29 33 1 0 0 0 0 29 55 1 0 0 0 0 30 34 2 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 33 35 2 0 0 0 0 33 59 1 0 0 0 0 34 35 1 0 0 0 0 34 60 1 0 0 0 0 35 61 1 0 0 0 0 M END > DB09319 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JIRBAUWICKGBFE-MNRDOXJOSA-N/SDF?record_type=3d > [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C(=O)OC1=CC2=C(CCC2)C=C1)C1=CC=CC=C1)C(O)=O > InChI=1S/C26H26N2O6S/c1-26(2)20(24(31)32)28-22(30)19(23(28)35-26)27-21(29)18(15-7-4-3-5-8-15)25(33)34-17-12-11-14-9-6-10-16(14)13-17/h3-5,7-8,11-13,18-20,23H,6,9-10H2,1-2H3,(H,27,29)(H,31,32)/t18?,19-,20+,23-/m1/s1 > JIRBAUWICKGBFE-MNRDOXJOSA-N > C26H26N2O6S > 494.56 > 494.151157739 > 5 > 61 > 50.51858354400578 > 1 > 2 > 0 > 0 > (2S,5R,6R)-6-[3-(2,3-dihydro-1H-inden-5-yloxy)-3-oxo-2-phenylpropanamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > 3.57 > 3.626894876 > -5.00 > 1 > 5 > -1 > 11.878601465529941 > 3.2879058497253695 > -6.290352934696614 > 113.01000000000002 > 128.2474 > 7 > 1 > 4.91e-03 g/l > carbenicillin indanyl > 0 $$$$