70482636 -OEChem-05102420132D 58 60 0 1 0 0 0 0 0999 V2000 10.6404 -0.8070 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5893 -5.0703 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.9754 -2.8287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2803 -4.1192 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.9276 -3.5840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7482 -1.6255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8585 1.7224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5306 1.2706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -0.9789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6894 -2.1160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9754 -0.4033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6894 -1.1160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2282 -1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6404 -2.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6811 -1.1119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6811 -2.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0372 -1.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0372 -2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9494 -3.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0090 -0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3033 0.0484 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3369 -0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5641 1.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0761 -1.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6312 0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1096 -1.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6648 0.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1193 2.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 -0.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4136 3.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4472 3.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6744 4.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7415 3.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 5.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0023 4.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5581 -0.2762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2020 -2.8634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1080 -1.3485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4017 -1.5298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5388 -0.6638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6728 -0.5266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6728 -2.7054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5388 -2.5682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4017 -1.7022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1371 0.1952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1416 -0.5501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5136 -1.6131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7929 1.0987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9479 -2.0292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2273 0.6826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6806 2.4246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4759 3.1949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2855 2.5410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2736 4.5210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1423 3.6888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1305 5.6688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5648 5.2528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 3 16 2 0 0 0 0 4 19 1 0 0 0 0 5 19 2 0 0 0 0 6 20 2 0 0 0 0 7 23 1 0 0 0 0 7 28 1 0 0 0 0 8 23 2 0 0 0 0 9 29 1 0 0 0 0 9 53 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 15 11 1 1 0 0 0 11 20 1 0 0 0 0 11 45 1 0 0 0 0 12 15 1 0 0 0 0 12 36 1 6 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 6 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 46 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 24 26 1 0 0 0 0 24 47 1 0 0 0 0 25 27 2 0 0 0 0 25 48 1 0 0 0 0 26 29 2 0 0 0 0 26 49 1 0 0 0 0 27 29 1 0 0 0 0 27 50 1 0 0 0 0 28 30 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 54 1 0 0 0 0 32 34 2 0 0 0 0 32 55 1 0 0 0 0 33 35 2 0 0 0 0 33 56 1 0 0 0 0 34 35 1 0 0 0 0 34 57 1 0 0 0 0 35 58 1 0 0 0 0 M CHG 2 2 1 4 -1 M END > 70482636 > 1 > 827 > 8 > 2 > 8 > AAADceB7OCBAAAAAAAAAAAAAAABYAWAAAAAwYAAABYAAAAABQAAAHgQQCAAADSzl2AayDoPABgiIAiHSGAACAABgIBAIiIGOCIgKZj6qtTuWcAAm9hG4uAeYyPCOoAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > sodium;(2S,5R,6R)-6-[[3-benzyloxy-2-(4-hydroxyphenyl)-3-oxo-propanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate > sodium;(2S,5R,6R)-6-[[2-(4-hydroxyphenyl)-1,3-dioxo-3-phenylmethoxypropyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate > sodium;(2S,5R,6R)-6-[[2-(4-hydroxyphenyl)-3-oxo-3-phenylmethoxypropanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate > sodium;(2S,5R,6R)-6-[[2-(4-hydroxyphenyl)-3-oxo-3-phenylmethoxypropanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate > sodium;(2S,5R,6R)-6-[[2-(4-hydroxyphenyl)-3-oxidanylidene-3-phenylmethoxy-propanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate > sodium;(2S,5R,6R)-6-[[3-benzoxy-2-(4-hydroxyphenyl)-3-keto-propanoyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate > InChI=1S/C24H24N2O7S.Na/c1-24(2)18(22(30)31)26-20(29)17(21(26)34-24)25-19(28)16(14-8-10-15(27)11-9-14)23(32)33-12-13-6-4-3-5-7-13;/h3-11,16-18,21,27H,12H2,1-2H3,(H,25,28)(H,30,31);/q;+1/p-1/t16?,17-,18+,21-;/m1./s1 > PTTKYDDCZRUWJD-OZAKWNFJSA-M > 506.11236653 > C24H23N2NaO7S > 506.5 > CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)C(=O)OCC4=CC=CC=C4)C(=O)[O-])C.[Na+] > CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=C(C=C3)O)C(=O)OCC4=CC=CC=C4)C(=O)[O-])C.[Na+] > 161 > 506.11236653 > 0 > 35 > 3 > 1 > 0 > 0 > 0 > 2 > -1 > 2 4 7 > 1 5 255 > 15 11 5 12 36 6 14 19 6 21 23 3 22 24 8 22 25 8 24 26 8 25 27 8 26 29 8 27 29 8 30 31 8 30 32 8 31 33 8 32 34 8 33 35 8 34 35 8 $$$$