70619583 -OEChem-04252411352D 88 92 0 1 0 0 0 0 0999 V2000 7.8357 12.9335 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8357 3.9019 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1707 10.9117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1707 1.8802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4756 9.6212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4756 0.5897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1228 10.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1228 1.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9434 12.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9434 3.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0537 15.4628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0537 6.4312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7258 15.0111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7258 5.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8846 11.6244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8846 2.5929 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1707 13.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1707 4.3056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8846 12.6244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8846 3.5929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4235 12.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4235 3.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8357 11.3154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8357 2.2839 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8763 12.6286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8763 3.5970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8763 11.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8763 2.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2325 12.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2325 11.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2325 3.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2325 2.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1447 10.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1447 1.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 13.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 4.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4986 13.7889 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4986 4.7573 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5321 13.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5321 4.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7594 14.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7594 5.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2713 12.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8265 5.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8265 14.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2713 3.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3048 12.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 4.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 13.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3048 3.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5992 13.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5992 3.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7534 13.4643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7534 4.4327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3973 10.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3973 1.8454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1154 13.2007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3033 3.3603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5969 12.2106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 13.0767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8680 13.2138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8680 11.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 11.1722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5969 12.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5969 3.1791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 4.0451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8680 4.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8680 2.0035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 2.1407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5969 3.0067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3324 13.9357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3324 4.9041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6671 9.0316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6671 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0978 13.9481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0611 5.1966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7088 12.1273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9882 5.8076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9882 14.8391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7088 3.0958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2154 16.0614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2154 7.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1432 11.7113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4225 5.3915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4225 14.4231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1432 2.6797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 12.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.8276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 21 1 0 0 0 0 2 20 1 0 0 0 0 2 22 1 0 0 0 0 3 27 2 0 0 0 0 4 28 2 0 0 0 0 5 33 1 0 0 0 0 5 73 1 0 0 0 0 6 34 1 0 0 0 0 6 74 1 0 0 0 0 7 33 2 0 0 0 0 8 34 2 0 0 0 0 9 35 2 0 0 0 0 10 36 2 0 0 0 0 11 41 1 0 0 0 0 11 81 1 0 0 0 0 12 42 1 0 0 0 0 12 82 1 0 0 0 0 13 41 2 0 0 0 0 14 42 2 0 0 0 0 15 19 1 0 0 0 0 15 23 1 0 0 0 0 15 27 1 0 0 0 0 16 20 1 0 0 0 0 16 24 1 0 0 0 0 16 28 1 0 0 0 0 25 17 1 1 0 0 0 17 35 1 0 0 0 0 17 71 1 0 0 0 0 26 18 1 1 0 0 0 18 36 1 0 0 0 0 18 72 1 0 0 0 0 19 25 1 0 0 0 0 19 53 1 6 0 0 0 20 26 1 0 0 0 0 20 54 1 6 0 0 0 21 23 1 0 0 0 0 21 29 1 0 0 0 0 21 30 1 0 0 0 0 22 24 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 23 33 1 6 0 0 0 23 55 1 0 0 0 0 24 34 1 6 0 0 0 24 56 1 0 0 0 0 25 27 1 0 0 0 0 25 57 1 0 0 0 0 26 28 1 0 0 0 0 26 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 41 1 0 0 0 0 37 75 1 0 0 0 0 38 40 1 0 0 0 0 38 42 1 0 0 0 0 38 76 1 0 0 0 0 39 43 2 0 0 0 0 39 45 1 0 0 0 0 40 44 2 0 0 0 0 40 46 1 0 0 0 0 43 47 1 0 0 0 0 43 77 1 0 0 0 0 44 48 1 0 0 0 0 44 78 1 0 0 0 0 45 49 2 0 0 0 0 45 79 1 0 0 0 0 46 50 2 0 0 0 0 46 80 1 0 0 0 0 47 51 2 0 0 0 0 47 83 1 0 0 0 0 48 52 2 0 0 0 0 48 84 1 0 0 0 0 49 51 1 0 0 0 0 49 85 1 0 0 0 0 50 52 1 0 0 0 0 50 86 1 0 0 0 0 51 87 1 0 0 0 0 52 88 1 0 0 0 0 M END > 70619583 > 1 > 645 > 14 > 6 > 10 > AAADcfB/vABgAAAAAAAAAAAAAABYsWLAAAAwYAAABYsAAAABQAAAHgQQCAAADSjF2ASyCIPAAgiIAiHSGAACAABgABAIiIGIAIgKYD6olTGUYAAm9gG4iAeYyOCOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S,5R,6R)-6-[(2-carboxy-2-phenyl-acetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R,6R)-6-[(2-carboxy-1-oxo-2-phenylethyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R,6R)-6-[(2-carboxy-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R,6R)-6-[(2-carboxy-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-[(3-oxidanyl-3-oxidanylidene-2-phenyl-propanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R,6R)-6-[(2-carboxy-2-phenyl-acetyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > InChI=1S/2C17H18N2O6S/c2*1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h2*3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t2*9?,10-,11+,14-/m11/s1 > VRNBKWFOLDBMDX-XVIPTCEVSA-N > 756.17711494 > C34H36N4O12S2 > 756.8 > CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)O)C.CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)O)C > CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)O)C > 299 > 756.17711494 > 0 > 52 > 6 > 2 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 25 17 5 26 18 5 19 53 6 20 54 6 23 33 6 24 34 6 37 41 3 38 42 3 39 43 8 39 45 8 40 44 8 40 46 8 43 47 8 44 48 8 45 49 8 46 50 8 47 51 8 48 52 8 49 51 8 50 52 8 $$$$