54656360 -OEChem-05072407072D 62 65 0 1 0 0 0 0 0999 V2000 4.6038 -2.3292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.9663 -0.8297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5673 -1.0022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9500 2.3359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3243 0.6774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8103 -0.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5673 1.4120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9385 1.2291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 0.7049 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8602 -0.2951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9663 1.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0602 0.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0602 -0.3159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5673 -1.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5673 1.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1846 2.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2744 0.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 -0.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2744 -0.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1684 1.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1684 -0.8297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0744 0.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0744 -0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -1.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8065 0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -2.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6706 1.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 -1.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7558 1.5485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7558 -1.1386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3709 1.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5726 1.7186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8512 1.3094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4494 0.6196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0638 -0.9359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0304 -1.3122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7278 -1.6011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7994 -1.2957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5965 -1.2926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7574 2.5732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9474 2.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6118 2.0986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1612 1.8595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1612 -1.4497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4665 -1.4459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6102 -0.6280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9928 0.1472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 0.1442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9361 1.8491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8617 0.2841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 -2.9559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -0.5313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9826 0.7000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2063 1.5478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3585 1.7715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 -2.1513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 3 15 1 0 0 0 0 3 21 1 0 0 0 0 4 17 2 0 0 0 0 5 20 2 0 0 0 0 6 30 2 0 0 0 0 7 10 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 20 1 0 0 0 0 8 26 1 0 0 0 0 8 51 1 0 0 0 0 9 24 1 0 0 0 0 9 30 1 0 0 0 0 9 55 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 1 0 0 0 11 15 1 0 0 0 0 11 36 1 6 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 6 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 20 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 22 49 1 0 0 0 0 23 25 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 31 2 0 0 0 0 29 32 1 0 0 0 0 29 56 1 0 0 0 0 30 33 1 0 0 0 0 31 34 1 0 0 0 0 31 57 1 0 0 0 0 32 34 2 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 62 1 0 0 0 0 M END > 54656360 > 1 > 752 > 5 > 2 > 5 > AAADceB7OAAEAAAAAAAAAAAAAAAAAAAAAAA0YIAAAAAWAAABQAAAHgIQAAAADD7hmCYyxoPABACIAiVSUACCCAAlJwAIiIEObsgPJjbFt5uHOWjm9hHa6Ye8yKCOAEAAQAAJAAAAgACAABIAAAAAAAAAAA== > 2-[(2S,4aS,12aS)-8-acetamido-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-chlorophenyl)methyl]acetamide > 2-[(2S,4aS,12aS)-8-acetamido-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-chlorophenyl)methyl]acetamide > 2-[(2S,4aS,12aS)-8-acetamido-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-chlorophenyl)methyl]acetamide > 2-[(2S,4aS,12aS)-8-acetamido-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-chlorophenyl)methyl]acetamide > 2-[(2S,4aS,12aS)-8-acetamido-5-methyl-6-oxidanylidene-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-chlorophenyl)methyl]ethanamide > 2-[(2S,4aS,12aS)-8-acetamido-6-keto-5-methyl-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-chlorobenzyl)acetamide > InChI=1S/C25H28ClN3O5/c1-15(30)28-17-7-10-22-19(11-17)25(32)29(2)21-9-8-18(34-23(21)14-33-22)12-24(31)27-13-16-5-3-4-6-20(16)26/h3-7,10-11,18,21,23H,8-9,12-14H2,1-2H3,(H,27,31)(H,28,30)/t18-,21-,23+/m0/s1 > YRVQYQNJCKOUJE-AVCGJXAMSA-N > 2.2 > 485.1717487 > C25H28ClN3O5 > 486.0 > CC(=O)NC1=CC2=C(C=C1)OCC3C(CCC(O3)CC(=O)NCC4=CC=CC=C4Cl)N(C2=O)C > CC(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@H](O3)CC(=O)NCC4=CC=CC=C4Cl)N(C2=O)C > 97 > 485.1717487 > 0 > 34 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 35 5 11 36 6 14 16 6 19 21 8 19 22 8 21 23 8 22 24 8 23 25 8 24 25 8 27 28 8 27 29 8 28 31 8 29 32 8 31 34 8 32 34 8 $$$$