Mrv1652311181623542D 72 77 0 0 0 0 999 V2000 1.0561 4.7457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8811 3.9207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8811 4.7457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6657 3.6657 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6657 5.0006 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9206 2.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7276 2.7096 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3686 2.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9049 5.5702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3415 5.1582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3729 4.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3729 3.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0874 5.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5162 5.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2308 4.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9452 5.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9452 5.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2308 6.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5162 5.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8018 4.7457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0561 3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4726 3.3373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 4.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1506 4.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2308 1.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0561 -0.2043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8811 -1.0293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8811 -0.2043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6657 -1.2843 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6657 0.0506 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9206 -2.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7276 -2.2404 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3686 -2.6820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9049 0.6203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3415 0.2082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3729 -0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3729 -1.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0874 0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5162 0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2308 -0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9452 0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9452 1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5162 1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8018 -0.2043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0561 -1.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4726 -1.6127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 -0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1506 -0.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 -1.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0538 -5.1603 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0754 -4.7397 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5258 -5.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5211 -4.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7898 -4.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8114 -5.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3441 -4.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3657 -5.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5258 -6.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2308 -5.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2355 -4.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5211 -3.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9452 -5.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2355 -6.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2308 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9405 -4.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9405 -3.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9452 -6.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0754 -3.9147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0754 -5.5647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0538 -4.3352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0538 -5.9852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 3 1 0 0 0 0 1 10 1 1 0 0 0 21 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 6 0 0 0 4 24 1 0 0 0 0 4 6 1 6 0 0 0 24 5 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 20 1 0 0 0 0 20 14 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 21 22 2 0 0 0 0 24 23 1 0 0 0 0 24 25 1 0 0 0 0 43 26 1 0 0 0 0 26 44 2 0 0 0 0 27 46 1 0 0 0 0 27 29 1 0 0 0 0 27 36 1 1 0 0 0 46 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 35 1 6 0 0 0 30 49 1 0 0 0 0 30 32 1 6 0 0 0 49 31 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 45 1 0 0 0 0 45 40 1 0 0 0 0 40 41 2 0 0 0 0 40 44 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 46 47 2 0 0 0 0 49 48 1 0 0 0 0 49 50 1 0 0 0 0 55 51 1 0 0 0 0 57 51 1 0 0 0 0 58 52 1 0 0 0 0 56 52 1 0 0 0 0 55 53 1 0 0 0 0 59 53 2 0 0 0 0 61 53 1 0 0 0 0 56 54 1 0 0 0 0 60 54 2 0 0 0 0 62 54 1 0 0 0 0 58 57 1 0 0 0 0 64 59 1 0 0 0 0 66 60 1 0 0 0 0 63 61 2 0 0 0 0 65 62 2 0 0 0 0 68 63 1 0 0 0 0 68 64 2 0 0 0 0 67 65 1 0 0 0 0 67 66 2 0 0 0 0 52 69 1 0 0 0 0 52 70 1 0 0 0 0 51 71 1 0 0 0 0 51 72 1 0 0 0 0 M CHG 4 7 -1 33 -1 51 1 52 1 M END > DBSALT001952 > drugbank > [H][N+]([H])(CC[N+]([H])([H])CC1=CC=CC=C1)CC1=CC=CC=C1.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COC1=CC=CC=C1)C([O-])=O.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COC1=CC=CC=C1)C([O-])=O > InChI=1S/2C16H18N2O5S.C16H20N2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9;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/t2*11-,12+,14-;/m11./s1 > BBTOYUUSUQNIIY-ANPZCEIESA-N > C48H56N6O10S2 > 941.13 > 940.349934375 > 5 > 122 > 33.893827341348484 > 0 > 1 > 0 > 0 > benzyl[2-(benzylazaniumyl)ethyl]azanium bis((2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate) > 3.75 > 0.7632417063333333 > -6.64 > 1 > 8 > -1 > 11.741506321839815 > 3.390268054489988 > -4.869023346985543 > 98.77000000000001 > 96.60510000000002 > 17 > 0 > 2.17e-04 g/l > benzathine(2+); bis(phenoxymethylpenicillin(1-)) > 0 > DBSALT001952 > Phenoxymethylpenicillin benzathine > DB00417 > Phenoxymethylpenicillin > 5928-84-7 > 3T4EMH59ZU $$$$