Ketcher 04141614092D 1 1.00000 0.00000 0 31 33 0 1 0 999 V2000 19.2296 -6.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3681 -6.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4970 -6.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4874 -7.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3488 -8.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2199 -7.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3391 -9.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2005 -9.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0717 -9.2481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.1910 -10.7403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9343 -9.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9346 -9.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9342 -10.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9346 -10.7574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2268 -11.4648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8860 -9.4480 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 22.8862 -11.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4740 -10.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8950 -12.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0338 -12.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7666 -12.5588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0441 -13.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1828 -14.0857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3115 -13.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3012 -12.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4502 -14.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3403 -9.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3405 -10.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9318 -8.7610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9315 -8.7610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7518 -11.5572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 8 10 2 0 0 0 11 9 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 13 14 1 0 0 0 14 12 1 0 0 0 13 15 2 0 0 0 12 16 1 0 0 0 14 17 1 0 0 0 17 18 1 0 0 0 16 18 1 0 0 0 17 19 1 0 0 0 19 20 1 0 0 0 19 21 2 0 0 0 20 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 24 26 1 0 0 0 27 18 1 0 0 0 28 18 1 0 0 0 12 29 1 6 0 0 11 30 1 6 0 0 17 31 1 1 0 0 M END > CHEBI:131733 > penamecillin > A penicillanic acid ester that is the acetoxymethyl ester of benzylpenicillin. It is a prodrug for benzylpenicillin. > 3 > Benzylpenicillin acetoxymethyl ester; Acetoxymethyl benzylpenicillanate > acetoxymethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate > penamecillinum; penamecilline; penamecillin; penamecilina > C19H22N2O6S > 406.455 > 406.11986 > 0 > C=1C=CC=C(C1)CC(N[C@]2([C@@]3(N(C2=O)[C@](C(S3)(C)C)(C(OCOC(=O)C)=O)[H])[H])[H])=O > InChI=1S/C19H22N2O6S/c1-11(22)26-10-27-18(25)15-19(2,3)28-17-14(16(24)21(15)17)20-13(23)9-12-7-5-4-6-8-12/h4-8,14-15,17H,9-10H2,1-3H3,(H,20,23)/t14-,15+,17-/m1/s1 > NLOOMWLTUVBWAW-HLLBOEOZSA-N > 983-85-7 > 5164412 > 983-85-7 > D05406 > Penamecillin > 15214080; 19108231; 4959939; 6791463 $$$$