Marvin 05051016192D 37 40 0 0 1 0 999 V2000 15.4098 -9.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4098 -8.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2661 -7.7468 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.2661 -10.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1141 -9.7307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1141 -8.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7949 -8.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7948 -9.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2661 -11.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1141 -12.3897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4098 -12.3897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6428 -10.3953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6428 -7.7468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7949 -7.0821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6429 -6.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4903 -8.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3388 -7.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4903 -9.7307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9927 -6.4618 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7083 -6.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0533 -8.0923 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5563 -6.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5563 -4.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4043 -6.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4043 -8.1366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2517 -6.1428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7083 -4.1484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4043 -4.1484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5613 -10.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7133 -9.7307 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.7146 -8.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6425 -7.6170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0570 -6.3513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3870 -6.3526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7903 -7.6203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.0558 -8.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1141 -7.0822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 5 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 3 6 1 0 0 0 0 5 4 1 0 0 0 0 5 6 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 17 1 0 0 0 0 9 10 1 0 0 0 0 20 22 2 0 0 0 0 9 11 2 0 0 0 0 22 23 1 0 0 0 0 4 9 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 8 12 2 0 0 0 0 24 26 2 0 0 0 0 1 2 1 0 0 0 0 7 13 1 1 0 0 0 23 27 1 0 0 0 0 23 28 2 0 0 0 0 1 4 2 0 0 0 0 1 29 1 0 0 0 0 7 14 1 0 0 0 0 29 30 1 0 0 0 0 2 3 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 14 15 1 0 0 0 0 6 7 1 0 0 0 0 13 16 1 0 0 0 0 7 8 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 31 1 0 0 0 0 16 17 1 0 0 0 0 35 36 1 0 0 0 0 6 37 1 6 0 0 0 M END > CHEBI:3499 > cefotetan > A semi-synthetic second-generation cephamycin antibiotic with [(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl, methoxy and {[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino groups at the 3, 7α, and 7β positions, respectively, of the cephem skeleton. It is resistant to a wide range of β-lactamases and is active against a broad spectrum of aerobic and anaerobic Gram-positive and Gram-negative microorganisms. > 3 > CHEBI:558729 > Cefotetan; cefotetan; (6R,7S)-7-(4-(carbamoylcarboxymethylene)-1,3-dithiethane-2-carboxamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5- yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2- carboxylic acid > 7beta-({[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7alpha-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid; (6R,7S)-7-({[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > cefotetanum; cefotetan > C17H17N7O8S4 > 575.61900 > 575.00215 > 0 > [H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@]2(NC(=O)C1SC(S1)=C(C(N)=O)C(O)=O)OC)C(O)=O > InChI=1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/b12-6-/t13?,15-,17+/m1/s1 > SRZNHPXWXCNNDU-IXOPCIAXSA-N > 5697364 > 69712-56-7 > 5697364 > 69712-56-7 > DB01330 > C06886 > D00260 > LSM-5961 > Cefotetan > 29017833; 17664321 $$$$