73717248 -OEChem-03282405312D 52 52 0 1 0 0 0 0 0999 V2000 4.0010 2.0691 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5810 4.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.5691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8082 3.0786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.5691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1189 2.4320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2782 8.1908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2782 10.6930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 3.5691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5810 1.8564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9923 0.4393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 2.5691 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8753 2.5650 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8753 3.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5474 2.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2531 1.4047 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2690 4.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2196 1.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4804 2.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9252 0.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4468 2.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8917 1.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1525 2.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0263 1.9699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4484 2.8017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4193 1.2579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 2.6768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 1.9865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6906 0.9654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.6891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.9491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4298 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.2801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.1891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0429 3.0662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7635 0.3544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 4.6061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.3791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 3.5322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6085 3.4823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3292 0.7705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5564 1.9927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8152 8.5008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7413 8.5008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8152 11.0030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7413 11.0030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 2 14 2 0 0 0 0 3 19 1 0 0 0 0 3 40 1 0 0 0 0 4 18 2 0 0 0 0 5 19 2 0 0 0 0 6 29 1 0 0 0 0 6 48 1 0 0 0 0 7 49 1 0 0 0 0 7 50 1 0 0 0 0 8 51 1 0 0 0 0 8 52 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 13 1 0 0 0 0 10 18 1 0 0 0 0 10 32 1 0 0 0 0 11 20 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 21 23 2 3 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 23 37 1 0 0 0 0 24 27 1 0 0 0 0 24 41 1 0 0 0 0 25 28 2 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 29 2 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 M END > 73717248 > 1 > 699 > 9 > 6 > 5 > AAADceB7OABAAAAAAAAAAAAAAABYAAAAAAAwQAAAAAAQAAABAAAAHgQQCAAADCzF2ASyDoPAAgiIAiXSWACCAABgIBAIiIGODMgKZjqilTOUcABk1hG4mQeY2IGOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > 7-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-prop-1-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;dihydrate > 7-[[2-amino-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-8-oxo-3-prop-1-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;dihydrate > 7-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-prop-1-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;dihydrate > 7-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-prop-1-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;dihydrate > 7-[[2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-8-oxidanylidene-3-prop-1-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;dihydrate > 7-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-keto-3-prop-1-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;dihydrate > InChI=1S/C18H19N3O5S.2H2O/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9;;/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26);2*1H2 > VXQVENRLHUCRQC-UHFFFAOYSA-N > 425.12567125 > C18H23N3O7S > 425.5 > CC=CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O.O.O > CC=CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O.O.O > 160 > 425.12567125 > 0 > 29 > 0 > 3 > 0 > 1 > 0 > 3 > -1 > 1 5 255 > 12 1 3 13 10 3 20 11 3 21 23 1 22 24 8 22 25 8 24 27 8 25 28 8 27 29 8 28 29 8 $$$$