Marvin 03130916222D 47 52 0 0 1 0 999 V2000 1.5938 -0.7757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3784 0.3042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5778 -0.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8633 -0.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5778 0.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3784 -1.0307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4403 -1.9868 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6333 -1.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0813 -2.4284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7688 0.0493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0543 0.4618 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6602 0.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6602 -0.7757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3746 0.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8036 0.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5181 0.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5181 -0.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8036 -1.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0891 -0.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0891 0.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7688 -0.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1854 -1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5938 0.0493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5938 0.8743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8536 -4.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5681 -4.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5681 -5.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8536 -6.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1392 -5.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1392 -4.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3545 -4.6007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3545 -5.9356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1304 -5.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9554 -5.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5387 -4.6848 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9512 -3.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2838 -3.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3637 -4.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6187 -3.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 -6.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2879 -6.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5735 -7.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5735 -7.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2879 -8.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0024 -7.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0024 -7.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7169 -8.3825 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 23 10 1 0 0 0 0 10 21 1 0 0 0 0 21 1 1 0 0 0 0 1 6 1 0 0 0 0 23 1 1 0 0 0 0 2 23 1 0 0 0 0 2 4 1 0 0 0 0 6 4 1 0 0 0 0 4 3 1 0 0 0 0 4 5 1 0 0 0 0 6 8 1 6 0 0 0 8 7 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 1 0 0 0 11 12 1 0 0 0 0 12 14 1 0 0 0 0 12 13 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 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 19 20 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 6 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 25 30 1 0 0 0 0 31 30 1 0 0 0 0 30 29 2 0 0 0 0 29 32 1 0 0 0 0 32 33 1 0 0 0 0 31 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 37 35 1 0 0 0 0 35 38 1 0 0 0 0 36 37 1 0 0 0 0 38 39 1 0 0 0 0 36 39 1 0 0 0 0 32 40 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 41 46 1 0 0 0 0 40 42 1 0 0 0 0 45 47 1 0 0 0 0 M CHG 2 7 -1 35 1 M END > CHEBI:52139 > benzylpenicillin clemizole > 3 > penicillin G clemizole; Clemizolpenicillin; Clemizole penicillin; 1-{[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]methyl}pyrrolidinium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate > 1-{[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]methyl}pyrrolidinium 2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylate > clemizolum penicillinum; clemizole penicilline; clemizole penicillin; clemizol-penicilina > C35H38ClN5O4S; C16H17N2O4S.C19H21ClN3 > 660.22500 > 659.23330 > 0 > Clc1ccc(Cn2c(C[NH+]3CCCC3)nc3ccccc23)cc1.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)Cc1ccccc1)C([O-])=O > InChI=1S/C19H20ClN3.C16H18N2O4S/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22;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/h1-2,5-10H,3-4,11-14H2;3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t;11-,12+,14-/m.1/s1 > GKPMEGXMKPQRTN-CBDIPHIASA-N > 3895335 > 6011-39-8 > 6011-39-8 > D07712 $$$$