71447 -OEChem-10061700313D 57 61 0 1 0 0 0 0 0999 V2000 0.6547 3.1145 1.2778 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2628 -0.5845 -1.0835 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9399 0.6759 -0.0602 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3047 2.4815 -1.4542 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1659 -1.2766 -0.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5493 -0.1686 -1.6038 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1898 -2.1035 -2.6998 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6259 1.0501 0.3686 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5057 0.7134 0.7934 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6899 1.2829 -1.3585 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1488 1.3801 1.5686 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1497 2.1262 -0.4480 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9027 3.4473 0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1436 0.2899 1.1473 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2197 0.0714 -0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 4.6071 -0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0061 3.8239 1.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5837 1.8090 -0.7297 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4164 -0.1205 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7689 0.5431 -0.0956 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2958 0.2553 -0.2412 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5603 -0.9775 0.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8815 -0.4845 -0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9300 -1.9933 -0.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9205 -1.4845 -1.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4944 -1.2036 1.8938 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5135 -0.7965 1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2407 -1.0875 -1.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2440 -3.2664 0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8056 -2.4809 2.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1777 -3.5059 1.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5386 -1.7426 1.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2657 -2.0336 -1.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9145 -2.3611 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4041 1.1938 2.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6121 2.0995 -1.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1583 -0.5712 1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4058 5.5320 -0.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1717 4.3911 -1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5419 4.8067 -1.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7223 4.6957 1.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9338 4.0887 0.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 3.0040 1.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8093 1.6556 1.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9618 1.2696 0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9990 1.0527 0.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9555 1.9876 -1.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5571 1.7993 -1.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2084 -0.4142 2.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2259 -0.3217 2.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7431 -0.8680 -2.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5316 -4.0535 -0.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7601 -2.6842 3.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4162 -4.4920 1.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0433 -1.9983 2.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5558 -2.5187 -2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7117 -3.0987 -0.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 15 2 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 18 2 0 0 0 0 5 19 2 0 0 0 0 6 21 1 0 0 0 0 6 25 1 0 0 0 0 7 25 2 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 9 14 1 0 0 0 0 9 19 1 0 0 0 0 9 44 1 0 0 0 0 10 20 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 14 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 36 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 19 20 1 0 0 0 0 20 23 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 24 1 0 0 0 0 22 26 2 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 26 30 1 0 0 0 0 26 49 1 0 0 0 0 27 32 1 0 0 0 0 27 50 1 0 0 0 0 28 33 2 0 0 0 0 28 51 1 0 0 0 0 29 31 1 0 0 0 0 29 52 1 0 0 0 0 30 31 2 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 32 34 2 0 0 0 0 32 55 1 0 0 0 0 33 34 1 0 0 0 0 33 56 1 0 0 0 0 34 57 1 0 0 0 0 M END > DB13814 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SOROUYSPFADXSN-SUWVAFIASA-N/SDF?record_type=3d > CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)N2[C@H]1C(=O)OC1OC(=O)C2=CC=CC=C12 > InChI=1S/C24H23N3O6S/c1-24(2)17(22(31)33-23-14-11-7-6-10-13(14)21(30)32-23)27-19(29)16(20(27)34-24)26-18(28)15(25)12-8-4-3-5-9-12/h3-11,15-17,20,23H,25H2,1-2H3,(H,26,28)/t15-,16-,17+,20-,23?/m1/s1 > SOROUYSPFADXSN-SUWVAFIASA-N > C24H23N3O6S > 481.52 > 481.130756647 > 5 > 57 > 48.60119505123905 > 1 > 2 > 0 > 0 > 3-oxo-1,3-dihydro-2-benzofuran-1-yl (2S,5R,6R)-6-[(2R)-2-amino-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate > 1.53 > 2.08683496 > -4.05 > 1 > 5 > 1 > 13.361375172541358 > 11.516757831057502 > 7.228455215074809 > 128.03 > 121.69909999999999 > 6 > 1 > 4.33e-02 g/l > talampicillin > 0 $$$$