70392915 -OEChem-04272400512D 57 60 0 1 0 0 0 0 0999 V2000 9.2365 -0.9877 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5715 -3.0094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8764 -4.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5236 -3.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3442 -1.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4545 1.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1266 1.0900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2854 -2.2967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5715 -0.5840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2854 -1.2967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8242 -1.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2365 -2.6057 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2771 -1.2926 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2771 -2.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6333 -1.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6333 -2.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5455 -3.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6050 -0.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8994 -0.1323 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9329 -0.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1602 0.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 -1.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2273 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7056 -1.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2608 0.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7153 2.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0097 3.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0432 2.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2705 4.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3376 3.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5648 4.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5984 4.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -0.4569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7981 -3.0441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7041 -1.5292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9977 -1.7105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1349 -0.8445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2688 -0.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2688 -2.8861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1349 -2.7489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9977 -1.8829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7332 0.0145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7377 -0.7308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0679 -4.8896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1096 -1.7938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 0.9180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -2.2099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8233 0.5019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2767 2.2439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0720 3.0142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4008 -1.0620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8815 2.3602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8697 4.3402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7384 3.5081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7265 5.4881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1609 5.0720 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 45 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 26 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 9 13 1 0 0 0 0 9 18 1 0 0 0 0 9 43 1 0 0 0 0 10 13 1 0 0 0 0 10 34 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 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 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 44 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 46 1 0 0 0 0 23 25 2 0 0 0 0 23 47 1 0 0 0 0 24 27 2 0 0 0 0 24 48 1 0 0 0 0 25 27 1 0 0 0 0 25 49 1 0 0 0 0 26 28 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 53 1 0 0 0 0 30 32 2 0 0 0 0 30 54 1 0 0 0 0 31 33 2 0 0 0 0 31 55 1 0 0 0 0 32 33 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 M END > 70392915 > 1 > 790 > 7 > 2 > 8 > AAADceB7OABAAAAAAAAAAAAAAABYAWAAAAAwYAAABYAAAAABQAAAHgQQCAAADSjl2AayCIPABgiIAiHSGAACAABgABAIiIGICIgKZj6otTmWcAAm9gG4qAeYyOCOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S,5R)-6-[(3-benzyloxy-3-oxo-2-phenyl-propanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R)-6-[(1,3-dioxo-2-phenyl-3-phenylmethoxypropyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R)-3,3-dimethyl-7-oxo-6-[(3-oxo-2-phenyl-3-phenylmethoxypropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R)-3,3-dimethyl-7-oxo-6-[(3-oxo-2-phenyl-3-phenylmethoxypropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R)-3,3-dimethyl-7-oxidanylidene-6-[(3-oxidanylidene-2-phenyl-3-phenylmethoxy-propanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R)-6-[(3-benzoxy-3-keto-2-phenyl-propanoyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > InChI=1S/C24H24N2O6S/c1-24(2)18(22(29)30)26-20(28)17(21(26)33-24)25-19(27)16(15-11-7-4-8-12-15)23(31)32-13-14-9-5-3-6-10-14/h3-12,16-18,21H,13H2,1-2H3,(H,25,27)(H,29,30)/t16?,17?,18-,21+/m0/s1 > XISLDFJJHQQSDZ-JWYNLTDQSA-N > 3 > 468.13550766 > C24H24N2O6S > 468.5 > CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)C(=O)O)C > CC1([C@@H](N2[C@H](S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)C(=O)O)C > 138 > 468.13550766 > 0 > 33 > 2 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 34 6 12 17 6 19 21 3 20 22 8 20 23 8 22 24 8 23 25 8 24 27 8 25 27 8 28 29 8 28 30 8 29 31 8 30 32 8 31 33 8 32 33 8 13 9 3 $$$$