54656707 -OEChem-05092417052D 65 68 0 1 0 0 0 0 0999 V2000 2.8602 1.7224 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1060 -1.2747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7071 -1.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0898 1.8909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9501 -0.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7071 0.9670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 -1.2709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0783 0.7841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 0.2599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0000 -0.7401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1060 0.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 0.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -0.7609 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7071 -1.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3359 -1.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7071 0.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3244 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4142 0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4142 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 -0.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3081 0.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3081 -1.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2142 0.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2142 -0.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -0.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9462 0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8103 0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -1.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 -0.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6783 0.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8065 1.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8955 1.1035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8955 -1.5836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5106 1.2644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7124 1.2736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9909 0.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5891 0.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2036 -1.3809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1702 -1.7572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8676 -2.0461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9392 -1.7407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7362 -1.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8972 2.1282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0871 2.4637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7516 1.6536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3010 1.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3010 -1.8947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6062 -1.8909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7499 -1.0730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0759 1.4041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8127 0.1707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 0.5378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 -1.8976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3703 -0.2440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2164 -0.0138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9862 0.8322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4265 1.7931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8041 2.4107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1865 1.7884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 -1.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 0.5270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 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 20 1 0 0 0 0 4 17 2 0 0 0 0 5 21 2 0 0 0 0 6 27 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 21 1 0 0 0 0 8 26 1 0 0 0 0 8 52 1 0 0 0 0 9 24 1 0 0 0 0 9 27 1 0 0 0 0 9 54 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 1 0 0 0 11 15 1 0 0 0 0 11 37 1 6 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 1 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 21 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 19 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 22 24 2 0 0 0 0 22 50 1 0 0 0 0 23 25 2 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 25 53 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 28 33 1 0 0 0 0 28 34 1 0 0 0 0 28 55 1 0 0 0 0 29 31 1 0 0 0 0 29 56 1 0 0 0 0 30 32 2 0 0 0 0 30 57 1 0 0 0 0 31 35 2 0 0 0 0 32 35 1 0 0 0 0 32 64 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 35 65 1 0 0 0 0 M END > 54656707 > 1 > 780 > 5 > 2 > 5 > AAADceB7OAAEAAAAAAAAAAAAAAAAAAAAAAA0YIAAAAAWAAABQAAAHgIQAAAADT7hmCYyxoPABACIAiVSUACCCAAlJwAIiAEObsgPJjbFt5uHOWjm9hHa6Ye8yKCOAEAAQAIIAAAAgACABBAAAAAAAAAAAA== > N-[(2R,4aS,12aS)-2-[2-(3-chloroanilino)-2-oxo-ethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methyl-propanamide > N-[(2R,4aS,12aS)-2-[2-(3-chloroanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methylpropanamide > N-[(2R,4aS,12aS)-2-[2-(3-chloroanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methylpropanamide > N-[(2R,4aS,12aS)-2-[2-(3-chloroanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methylpropanamide > N-[(2R,4aS,12aS)-2-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-6-oxidanylidene-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methyl-propanamide > N-[(2R,4aS,12aS)-2-[2-(3-chloroanilino)-2-keto-ethyl]-6-keto-5-methyl-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methyl-propionamide > InChI=1S/C26H30ClN3O5/c1-15(2)25(32)29-18-7-10-22-20(12-18)26(33)30(3)21-9-8-19(35-23(21)14-34-22)13-24(31)28-17-6-4-5-16(27)11-17/h4-7,10-12,15,19,21,23H,8-9,13-14H2,1-3H3,(H,28,31)(H,29,32)/t19-,21+,23-/m1/s1 > BLSGOXPCCVZDNL-UNWVZKJWSA-N > 3.3 > 499.1873988 > C26H30ClN3O5 > 500.0 > CC(C)C(=O)NC1=CC2=C(C=C1)OCC3C(CCC(O3)CC(=O)NC4=CC(=CC=C4)Cl)N(C2=O)C > CC(C)C(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@@H](O3)CC(=O)NC4=CC(=CC=C4)Cl)N(C2=O)C > 97 > 499.1873988 > 0 > 35 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 36 5 11 37 6 14 16 5 19 20 8 19 22 8 20 23 8 22 24 8 23 25 8 24 25 8 26 29 8 26 30 8 29 31 8 30 32 8 31 35 8 32 35 8 $$$$