Mrv1718007061812002D 70 71 0 0 0 0 999 V2000 -3.0088 1.9297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0137 2.7547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8387 1.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8387 2.7547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2226 1.6773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2275 3.0119 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7374 2.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5570 3.1720 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2275 0.8571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2752 2.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4211 1.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9506 0.4495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2752 1.9297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9886 3.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5191 0.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0288 1.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0288 2.7643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2653 2.4830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1204 2.0656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7020 2.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6937 2.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6970 2.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9787 2.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 2.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5520 2.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8386 2.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4154 3.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7020 1.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9754 2.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6937 1.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4153 2.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6970 3.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2619 2.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1287 2.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4056 3.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1287 2.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4105 1.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9754 0.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1287 1.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 1.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1287 3.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0234 3.5796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9936 -2.2305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9985 -1.4055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8235 -2.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8235 -1.4055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2074 -2.4828 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2123 -1.1483 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7222 -1.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5418 -0.9882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2123 -3.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2600 -1.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4059 -2.8176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9354 -3.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2600 -2.2305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9734 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5039 -3.7252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0136 -2.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0136 -1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6868 -1.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4002 -0.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6868 -2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1135 -1.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3953 -2.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1135 -2.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0081 -0.5805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6485 -0.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 -0.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3834 -1.6921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3871 -1.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 4 8 1 1 0 0 0 5 9 1 6 0 0 0 10 8 1 0 0 0 0 11 3 2 0 0 0 0 12 9 2 0 0 0 0 13 10 2 0 0 0 0 14 10 1 0 0 0 0 15 9 1 0 0 0 0 16 7 1 0 0 0 0 17 7 1 0 0 0 0 19 26 1 0 0 0 0 20 14 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 23 18 1 0 0 0 0 24 19 1 0 0 0 0 25 18 1 0 0 0 0 26 25 1 0 0 0 0 27 20 2 0 0 0 0 28 20 1 0 0 0 0 29 21 2 0 0 0 0 30 21 1 0 0 0 0 31 22 2 0 0 0 0 32 22 1 0 0 0 0 33 29 1 0 0 0 0 34 31 1 0 0 0 0 35 32 2 0 0 0 0 36 27 1 0 0 0 0 37 28 2 0 0 0 0 38 30 2 0 0 0 0 39 37 1 0 0 0 0 40 33 2 0 0 0 0 41 35 1 0 0 0 0 2 42 1 6 0 0 0 6 7 1 0 0 0 0 3 4 1 0 0 0 0 39 36 2 0 0 0 0 41 34 2 0 0 0 0 38 40 1 0 0 0 0 44 43 1 0 0 0 0 45 43 1 0 0 0 0 46 44 1 0 0 0 0 47 43 1 0 0 0 0 48 44 1 0 0 0 0 49 47 1 0 0 0 0 46 50 1 1 0 0 0 47 51 1 6 0 0 0 52 50 1 0 0 0 0 53 45 2 0 0 0 0 54 51 2 0 0 0 0 55 52 2 0 0 0 0 56 52 1 0 0 0 0 57 51 1 0 0 0 0 58 49 1 0 0 0 0 59 49 1 0 0 0 0 60 56 1 0 0 0 0 61 60 2 0 0 0 0 62 60 1 0 0 0 0 63 61 1 0 0 0 0 64 62 2 0 0 0 0 65 64 1 0 0 0 0 44 66 1 6 0 0 0 48 49 1 0 0 0 0 45 46 1 0 0 0 0 65 63 2 0 0 0 0 M END > DBSALT002768 > drugbank > O.O.O.O.C(CNCC1=CC=CC=C1)NCC1=CC=CC=C1.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1)C(O)=O.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1)C(O)=O > InChI=1S/2C16H18N2O4S.C16H20N2.4H2O/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;;;;/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2;4*1H2/t2*11-,12+,14-;;;;;/m11...../s1 > WIDKTXGNSOORHA-CJHXQPGBSA-N > C48H64N6O12S2 > 981.19 > 980.402363873 > 4 > 132 > 33.514220547200225 > 0 > 2 > 0 > 0 > bis((2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid) benzyl[2-(benzylamino)ethyl]amine tetrahydrate > 1.92 > 1.0806779529999997 > -3.07 > 1 > 8 > -1 > 12.119397282151532 > 3.529281016771107 > -2.7642193970852755 > 86.71000000000001 > 84.52780000000003 > 15 > 0 > 2.85e-01 g/l > benzathine bis(penicillin G) tetrahydrate > 0 > DBSALT002768 > DB09323 > Benzylpenicillin benzathine hydrate > DB01053 > Benzylpenicillin > 41372-02-5 > RIT82F58GK $$$$