Ketcher 10232011242D 1 1.00000 0.00000 0 33 36 0 1 0 999 V2000 8.9884 -5.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8546 -6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8546 -7.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9884 -7.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1224 -7.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1224 -6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3186 -7.0900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3186 -6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2696 -7.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3186 -7.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3186 -6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2696 -5.7810 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.8573 -6.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5785 -8.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7286 -7.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7286 -6.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9094 -9.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4525 -5.5900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5865 -6.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7205 -5.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5865 -7.0900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7205 -4.5900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6114 -7.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3186 -5.0899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5567 -8.5579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8658 -9.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8440 -9.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2454 -10.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4532 -9.5474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5871 -9.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2509 -10.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9146 -11.2686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4824 -8.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 1 2 0 0 0 1 2 1 0 0 0 2 20 1 0 0 0 3 2 2 0 0 0 4 3 1 0 0 0 5 6 1 0 0 0 5 4 2 0 0 0 8 7 1 0 0 0 9 7 1 0 0 0 10 7 1 0 0 0 8 11 1 0 0 0 8 12 1 0 0 0 13 9 1 0 0 0 9 14 1 6 0 0 11 10 1 0 0 0 11 18 1 1 0 0 13 12 1 0 0 0 15 13 1 0 0 0 16 13 1 0 0 0 17 14 2 0 0 0 25 14 1 0 0 0 19 18 1 0 0 0 20 19 1 0 0 0 21 19 2 0 0 0 20 22 1 1 0 0 10 23 2 0 0 0 8 24 1 6 0 0 25 26 1 0 0 0 26 27 1 0 0 0 28 29 1 0 0 0 30 27 2 0 0 0 27 31 1 0 0 0 28 31 1 0 0 0 30 29 1 0 0 0 28 32 2 0 0 0 30 33 1 0 0 0 M END > CHEBI:135748 > lenampicillin > A penicillanic acid ester that is the (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester of ampicillin. It is a prodrug of ampicillin. > 3 > KBT-1585; KBT 1585; ampicillin 5-methyl-2-oxo-1,3-dioxol-4-yl methyl ester > (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate > lenampicillinum; lenampicilline; lenampicillin; lenampicilina > C21H23N3O7S > 461.490 > 461.12567 > 0 > [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(=O)OCC1=C(C)OC(=O)O1 > InChI=1S/C21H23N3O7S/c1-10-12(31-20(28)30-10)9-29-19(27)15-21(2,3)32-18-14(17(26)24(15)18)23-16(25)13(22)11-7-5-4-6-8-11/h4-8,13-15,18H,9,22H2,1-3H3,(H,23,25)/t13-,14-,15+,18-/m1/s1 > ZKUKMWMSYCIYRD-ZXFNITATSA-N > 86273-18-9 > 86273-18-9 > D08110 > 16312302; 16312500; 16312550; 16312570; 1761182; 2345375; 2759930; 29017833; 3729355; 3795477; 3906167; 3908737; 3932547; 4046172; 4046173; 4053214; 6399011 $$$$