9892071 -OEChem-07182215573D 64 67 0 1 0 0 0 0 0999 V2000 0.0747 1.6930 -1.8396 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2884 2.1422 -0.7861 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3370 -1.7510 -0.5211 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3086 1.8088 1.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1468 -2.2487 0.0134 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4598 -1.4455 -2.0468 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 -3.4512 -0.4928 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2257 -2.6009 1.6157 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7907 -0.1540 0.2673 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6659 2.0371 -0.3378 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1206 2.1463 1.5431 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2787 1.2012 0.5955 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7063 0.6383 0.3075 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4170 2.1296 -0.2863 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0019 -0.6889 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3977 1.1703 -0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6954 -0.0932 -0.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7632 0.5184 1.3761 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2040 2.9194 -1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7832 2.7794 -0.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4895 1.9869 0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1913 3.1694 -1.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8906 -0.4114 0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0229 -1.3228 -0.9708 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8838 2.1128 0.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5421 -3.5272 -0.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3472 1.7278 0.6085 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5694 2.2892 1.7846 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1205 -2.9592 0.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6445 -2.9678 0.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5716 -4.3876 -0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3026 -2.0757 -1.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9622 -2.3847 1.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 1.4176 1.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1493 1.0838 -0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9062 2.8398 0.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3361 0.1362 2.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5616 3.6291 -1.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0059 3.4887 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6652 2.2628 -2.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1803 3.6259 -0.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5667 2.5365 1.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1596 0.9642 0.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5398 4.1290 -0.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4151 3.1161 -2.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5518 -1.4445 0.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7013 -0.3965 1.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3229 -0.0822 -0.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 2.3718 1.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0237 -3.9865 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7253 -4.1774 0.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3450 2.1643 0.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4327 0.6389 0.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8426 1.7577 2.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8014 3.3498 1.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6388 -4.4185 -0.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0218 -4.8012 -1.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4027 -5.0581 0.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3591 -1.9937 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9209 -1.0640 -0.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7614 -2.4754 -1.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6532 -1.3624 1.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8589 -2.9888 2.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0257 -2.3572 0.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 20 1 0 0 0 0 2 25 1 0 0 0 0 2 27 1 0 0 0 0 3 15 2 0 0 0 0 4 18 1 0 0 0 0 4 49 1 0 0 0 0 5 24 1 0 0 0 0 5 26 1 0 0 0 0 6 24 2 0 0 0 0 7 26 1 0 0 0 0 7 30 1 0 0 0 0 8 30 2 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 9 17 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 25 1 0 0 0 0 11 25 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 13 35 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 14 36 1 0 0 0 0 16 17 2 0 0 0 0 17 24 1 0 0 0 0 18 23 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 29 33 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 M END > DB16840 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SNUDIPVBUUXCDG-QHSBEEBCSA-N/SDF?record_type=3d > [H][C@]12[C@@H](C)C(SC3CN(C3)C3=NCCS3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(=O)OCOC(=O)C(C)(C)C > InChI=1S/C22H31N3O6S2/c1-11-15-14(12(2)26)18(27)25(15)16(19(28)30-10-31-20(29)22(3,4)5)17(11)33-13-8-24(9-13)21-23-6-7-32-21/h11-15,26H,6-10H2,1-5H3/t11-,12-,14-,15-/m1/s1 > SNUDIPVBUUXCDG-QHSBEEBCSA-N > C22H31N3O6S2 > 497.63 > 497.165428078 > 6 > 64 > 0.15587660559486935 > 53.3872736572703 > 1 > 1 > 0 > 0 > [(4R,5S,6S)-3-{[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carbonyloxy]methyl 2,2-dimethylpropanoate > 2.63 > 1.5921878199999997 > -3.47 > 1 > 0 > 4 > 0 > 18.871889635538885 > 14.998236438020543 > 6.266375037313737 > 108.74000000000001 > 127.42649999999998 > 9 > 1 > 1.67e-01 g/l > N-{3-carbamoyl-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-2-yl}-1H-pyrazole-3-carboxamide > 0 $$$$