70605151 -OEChem-03292407312D 51 54 0 1 0 0 0 0 0999 V2000 5.9019 -2.2290 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8802 0.4360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 -1.8689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 -3.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0834 1.6632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5929 -1.2780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3056 0.4360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0929 -2.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 -2.2290 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5929 -1.2780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5970 -0.2697 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9938 -3.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1919 -3.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5887 -0.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2164 -4.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9694 -4.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5929 -5.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5929 -5.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 -2.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0487 1.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7573 2.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5005 3.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5351 3.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2090 3.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2782 4.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9522 4.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9868 5.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8454 -1.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4327 -1.1467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3603 0.3034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6138 -3.2507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1318 -2.6462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0539 -2.6462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5719 -3.2507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6029 -4.7104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7750 -3.9566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4108 -3.9566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5828 -4.7104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4549 -5.6119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1515 -5.2764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0343 -5.2764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7308 -5.6119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9041 0.2743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1119 1.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3198 2.3690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0958 2.8978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8076 3.6185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6797 4.4635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3915 5.1842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8276 5.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 14 2 0 0 0 0 3 19 1 0 0 0 0 3 44 1 0 0 0 0 4 19 2 0 0 0 0 5 20 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 11 1 0 0 0 0 7 20 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 19 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 1 0 0 0 11 14 1 0 0 0 0 11 30 1 0 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 16 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 47 1 0 0 0 0 24 26 2 0 0 0 0 24 48 1 0 0 0 0 25 27 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 M END > 70605151 > 1 > 611 > 5 > 2 > 4 > AAADceB7OABAAAAAAAAAAAAAAABYAWAAAAAwAAAAB4gAAAABAAAAHgQQCAAADCjF2ASwCIPAAgiIAiHSGAACAABgABAIiIGIAIgKYDqglTGUYAAklgC4iAeYyOCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (5S)-7-oxo-6-[(2-phenylacetyl)amino]spiro[4-thia-1-azabicyclo[3.2.0]heptane-3,1'-cycloheptane]-2-carboxylic acid > (5S)-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-2-spiro[4-thia-1-azabicyclo[3.2.0]heptane-3,1'-cycloheptane]carboxylic acid > (5S)-7-oxo-6-[(2-phenylacetyl)amino]spiro[4-thia-1-azabicyclo[3.2.0]heptane-3,1'-cycloheptane]-2-carboxylic acid > (5S)-7-oxo-6-[(2-phenylacetyl)amino]spiro[4-thia-1-azabicyclo[3.2.0]heptane-3,1'-cycloheptane]-2-carboxylic acid > (5S)-7-oxidanylidene-6-(2-phenylethanoylamino)spiro[4-thia-1-azabicyclo[3.2.0]heptane-3,1'-cycloheptane]-2-carboxylic acid > (5S)-7-keto-6-[(2-phenylacetyl)amino]spiro[4-thia-1-azabicyclo[3.2.0]heptane-3,1'-cycloheptane]-2-carboxylic acid > InChI=1S/C20H24N2O4S/c23-14(12-13-8-4-3-5-9-13)21-15-17(24)22-16(19(25)26)20(27-18(15)22)10-6-1-2-7-11-20/h3-5,8-9,15-16,18H,1-2,6-7,10-12H2,(H,21,23)(H,25,26)/t15?,16?,18-/m0/s1 > NIJHUQKRFHRIMH-HTWSVDAQSA-N > 3.4 > 388.14567842 > C20H24N2O4S > 388.5 > C1CCCC2(CC1)C(N3C(S2)C(C3=O)NC(=O)CC4=CC=CC=C4)C(=O)O > C1CCCC2(CC1)C(N3[C@@H](S2)C(C3=O)NC(=O)CC4=CC=CC=C4)C(=O)O > 112 > 388.14567842 > 0 > 27 > 1 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 29 5 22 23 8 22 24 8 23 25 8 24 26 8 25 27 8 26 27 8 11 7 3 9 19 3 $$$$