70687278 -OEChem-03292405392D 44 45 0 1 0 0 0 0 0999 V2000 9.1854 -3.6956 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 9.2365 0.5677 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5715 -1.4540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8764 -2.7445 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.5236 -2.2093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3442 -0.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4545 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1266 2.6453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2854 -0.7413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5715 0.9714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2854 0.2587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8242 -0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2365 -1.0503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2771 0.2628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2771 -0.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6333 0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6333 -0.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5455 -2.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6050 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8994 1.4231 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9329 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1602 2.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2273 1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7056 -0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2608 1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 1.0985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7981 -1.4888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7041 0.0261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9977 -0.1551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1349 0.7109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2688 0.8481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2688 -1.3307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1349 -1.1935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9977 -0.3275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7332 1.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7377 0.8246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1096 -0.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 2.4734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -0.6545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8233 2.0573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6162 3.6956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4008 0.4934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 15 2 0 0 0 0 4 18 1 0 0 0 0 5 18 2 0 0 0 0 6 19 2 0 0 0 0 7 22 1 0 0 0 0 7 43 1 0 0 0 0 8 22 2 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 14 10 1 1 0 0 0 10 19 1 0 0 0 0 10 37 1 0 0 0 0 11 14 1 0 0 0 0 11 28 1 6 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 6 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 23 25 1 0 0 0 0 23 39 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 27 2 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 27 44 1 0 0 0 0 M CHG 2 1 1 4 -1 M END > 70687278 > 1 > 651 > 7 > 2 > 5 > AAADceB7OABAQAAAAAAAAAAAAABYAWAAAAAwAAAABYAAAAABAAAAHgQQCAAADSjF2ASyCIPAAgiIAiHSGAACAABgABAIiIGIAIgKYD6olTGUYAAm9gG4iAeYyOCOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > potassium;(2S,5R,6R)-6-[(2-carboxy-2-phenyl-acetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate > potassium;(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-carboxylate > potassium;(2S,5R,6R)-6-[(2-carboxy-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate > potassium;(2S,5R,6R)-6-[(2-carboxy-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate > potassium;(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-carboxylate > potassium;(2S,5R,6R)-6-[(2-carboxy-2-phenyl-acetyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate > InChI=1S/C17H18N2O6S.K/c1-17(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;/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25);/q;+1/p-1/t9?,10-,11+,14-;/m1./s1 > DNAXYSPCMDEAQB-GJUCOGTPSA-M > 416.04443892 > C17H17KN2O6S > 416.5 > CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)[O-])C.[K+] > 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.[K+] > 152 > 416.04443892 > 0 > 27 > 3 > 1 > 0 > 0 > 0 > 2 > 4 > 1 4 7 > 1 5 255 > 14 10 5 11 28 6 13 18 6 20 22 3 21 23 8 21 24 8 23 25 8 24 26 8 25 27 8 26 27 8 $$$$