Marvin 03051015522D 25 26 0 0 0 0 999 V2000 1.5395 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3241 -1.4925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3241 -0.1576 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 -2.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 -2.4486 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0270 -2.8902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5723 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -0.4125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.2868 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5723 -1.2375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1311 -1.8209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5235 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5235 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24 1 1 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 24 3 1 0 0 0 0 24 4 1 0 0 0 0 2 22 1 0 0 0 0 2 5 1 6 0 0 0 3 6 1 1 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 17 2 0 0 0 0 10 16 1 0 0 0 0 16 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 1 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 3 19 1 0 0 0 0 4 22 1 0 0 0 0 19 20 2 0 0 0 0 22 21 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 6 0 0 0 M CHG 3 7 -1 14 -1 18 1 M END > CHEBI:58408 > penicillin N(1-) > Conjugate base of penicillin N. > 3 > penicillin N anion; penicillin N; (2S,5R,6R)-6-{[(5R)-5-ammonio-5-carboxylatopentanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate > 6beta-[(5R)-5-ammonio-5-carboxylatopentanamido]-2,2-dimethylpenam-3alpha-carboxylate > C14H20N3O6S > 358.39000 > 358.10783 > -1 > [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CCC[C@@H]([NH3+])C([O-])=O)C([O-])=O > InChI=1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)/p-1/t6-,8-,9+,11-/m1/s1 > MIFYHUACUWQUKT-GPUHXXMPSA-M $$$$