70508243 -OEChem-04252404262D 55 58 0 1 0 0 0 0 0999 V2000 9.2365 2.7323 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5715 0.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9410 -0.4681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0430 0.5962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3442 1.9137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2854 1.4233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5715 3.1360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6184 -0.7879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2854 2.4233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2365 1.1142 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8242 1.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2771 2.4274 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2771 1.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6333 2.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7855 1.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0455 0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9274 0.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6050 2.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8994 3.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7500 -1.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9329 3.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6454 -2.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2273 4.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 2.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7319 -2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4545 -2.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2608 3.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7056 2.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6274 -3.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3499 -3.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4364 -4.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 3.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7041 2.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9977 2.0095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1349 2.8755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2688 3.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6146 1.0516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3815 1.4767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9564 2.2436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7332 3.7345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4080 3.9423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6385 4.1501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3460 -1.2267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0218 -0.4986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 4.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1096 1.9262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2303 -2.0927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0209 -2.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8233 4.2219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 1.5101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0610 -3.7038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8515 -3.9971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4008 2.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3716 -4.6560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 13 2 0 0 0 0 3 16 1 0 0 0 0 3 20 1 0 0 0 0 4 16 2 0 0 0 0 5 18 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 12 7 1 6 0 0 0 7 18 1 0 0 0 0 7 41 1 0 0 0 0 8 17 3 0 0 0 0 9 12 1 0 0 0 0 9 33 1 6 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 1 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 18 19 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 22 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 23 46 1 0 0 0 0 24 28 2 0 0 0 0 24 47 1 0 0 0 0 25 29 1 0 0 0 0 25 48 1 0 0 0 0 26 30 2 0 0 0 0 26 49 1 0 0 0 0 27 31 2 0 0 0 0 27 50 1 0 0 0 0 28 31 1 0 0 0 0 28 51 1 0 0 0 0 29 32 2 0 0 0 0 29 52 1 0 0 0 0 30 32 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 M END > 70508243 > 1 > 809 > 6 > 1 > 7 > AAADceB7OABAAAAAAAAAAAAAAABYAWAAAAAwYAAABYAAAAABQAAAHgQQAAAADKjl2AayCIPABAiYBiHSGAACAABgABAIiIGICIgK5jqgtTmXMAAk1gG4qA+YyKCOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > benzyl (2S,5R,6S)-2-cyano-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate > (2S,5R,6S)-2-cyano-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester > benzyl (2S,5R,6S)-2-cyano-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate > benzyl (2S,5R,6S)-2-cyano-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate > (phenylmethyl) (2S,5R,6S)-2-cyano-3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate > (2S,5R,6S)-2-cyano-7-keto-3,3-dimethyl-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester > InChI=1S/C24H23N3O4S/c1-23(2)24(15-25,22(30)31-14-17-11-7-4-8-12-17)27-20(29)19(21(27)32-23)26-18(28)13-16-9-5-3-6-10-16/h3-12,19,21H,13-14H2,1-2H3,(H,26,28)/t19-,21+,24-/m0/s1 > DGZIITBQKGOYIO-LEEZEASISA-N > 2.9 > 449.14092740 > C24H23N3O4S > 449.5 > CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)(C#N)C(=O)OCC4=CC=CC=C4)C > CC1([C@](N2[C@H](S1)[C@H](C2=O)NC(=O)CC3=CC=CC=C3)(C#N)C(=O)OCC4=CC=CC=C4)C > 125 > 449.14092740 > 0 > 32 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 17 5 21 23 8 21 24 8 22 25 8 22 26 8 23 27 8 24 28 8 25 29 8 26 30 8 27 31 8 28 31 8 29 32 8 30 32 8 12 7 6 9 33 6 $$$$