20824 -OEChem-03302401502D 44 46 0 1 0 0 0 0 0999 V2000 9.2365 0.3870 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5715 -1.6347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8764 -2.9252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5236 -2.3900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3442 -0.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4545 2.9164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1266 2.4646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2854 -0.9220 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5715 0.7907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2854 0.0780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8242 -0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2365 -1.2310 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2771 0.0821 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2771 -0.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6333 0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6333 -1.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5455 -2.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6050 0.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8994 1.2424 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9329 0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1602 2.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 0.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2273 1.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7056 -0.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2608 1.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 0.9178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7981 -1.6694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7041 -0.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9977 -0.3358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1349 0.5302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2688 0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2688 -1.5114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1349 -1.3742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9977 -0.5082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7332 1.3892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4619 1.6817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0679 -3.5149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1096 -0.4191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 2.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -0.8352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8233 1.8766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6162 3.5149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4008 0.3127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 14 2 0 0 0 0 3 17 1 0 0 0 0 3 38 1 0 0 0 0 4 17 2 0 0 0 0 5 18 2 0 0 0 0 6 21 1 0 0 0 0 6 43 1 0 0 0 0 7 21 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 13 9 1 1 0 0 0 9 18 1 0 0 0 0 9 36 1 0 0 0 0 10 13 1 0 0 0 0 10 27 1 6 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 6 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 26 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 44 1 0 0 0 0 M END > 20824 > 1 > 645 > 7 > 3 > 5 > AAADceB7OABAAAAAAAAAAAAAAABYAWAAAAAwAAAABYAAAAABAAAAHgQQCAAADSjF2ASyCIPAAgiIAiHSGAACAABgABAIiIGIAIgKYD6olTGUYAAm9gG4iAeYyOCOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (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/C17H18N2O6S/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)/t9?,10-,11+,14-/m1/s1 > FPPNZSSZRUTDAP-UWFZAAFLSA-N > 1.1 > 378.08855747 > C17H18N2O6S > 378.4 > 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 > 149 > 378.08855747 > 0 > 26 > 3 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 27 6 12 17 6 19 18 3 20 22 8 20 23 8 22 24 8 23 25 8 24 26 8 25 26 8 13 9 5 $$$$