Marvin 11170915002D 35 38 0 0 1 0 999 V2000 16.0906 -8.7814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0906 -9.6064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8051 -10.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5196 -9.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5196 -8.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8051 -8.3689 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.2655 -8.7814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2655 -9.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5511 -8.3689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8365 -8.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8365 -9.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5511 -10.0189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1220 -8.3689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2451 -10.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8051 -10.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0807 -11.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5096 -11.2507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3959 -8.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6823 -8.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9687 -8.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9687 -9.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6823 -10.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3959 -9.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1220 -7.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0906 -7.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9625 -9.6114 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.6768 -10.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9435 -10.8036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7690 -10.8343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0141 -10.0046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3400 -9.5279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3703 -8.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4075 -7.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4075 -6.3037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6931 -7.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 2 8 1 0 0 0 0 7 9 1 1 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 8 12 2 0 0 0 0 10 13 1 0 0 0 0 4 14 1 0 0 0 0 3 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 13 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 18 23 1 0 0 0 0 13 24 1 1 0 0 0 1 25 1 6 0 0 0 14 26 1 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 29 30 2 0 0 0 0 30 31 1 0 0 0 0 27 31 1 0 0 0 0 31 32 1 0 0 0 0 24 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 M END > CHEBI:53654 > O-formylcefamandole > A cephalosporin compound having (R)-O-formylmandelamido and N-methylthiotetrazole side groups. It is used (as the sodium salt) as a progrug for cefamandole. > 3 > (6R,7R)-7-{[(2R)-2-(formyloxy)-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > 6beta-[(2R)-2-(formyloxy)-2-phenylacetamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylic acid > C19H18N6O6S2 > 490.51300 > 490.07292 > 0 > [H]C(=O)O[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(O)=O)=C(CSc3nnnn3C)CS[C@]12[H])c1ccccc1 > InChI=1S/C19H18N6O6S2/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30)/t12-,14-,17-/m1/s1 > RRJHESVQVSRQEX-SUYBPPKGSA-N > 5406414 > 57268-80-1 > 57268-80-1 $$$$