60159071 -OEChem-05042417492D 70 73 0 1 0 0 0 0 0999 V2000 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 16.6706 1.2357 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 2 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 4.5961 -0.3292 0.0000 C 0 0 1 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 3.7320 -0.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5923 0.6707 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 2.0038 -1.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5385 0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4026 1.2424 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 5.4665 -1.4459 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 5.1319 -0.0172 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 5.2123 0.6731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5899 1.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9723 0.6684 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 4.2740 -2.1405 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 1.4681 -2.1513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6682 1.8557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1418 0.2626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9389 0.2657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7147 0.7067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9383 1.5545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0905 1.7782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 2 21 1 0 0 0 0 3 17 2 0 0 0 0 4 20 2 0 0 0 0 5 31 2 0 0 0 0 6 10 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 20 1 0 0 0 0 24 7 1 1 0 0 0 7 51 1 0 0 0 0 8 25 1 0 0 0 0 8 31 1 0 0 0 0 8 59 1 0 0 0 0 9 31 1 0 0 0 0 9 35 1 0 0 0 0 9 65 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 37 1 1 0 0 0 11 15 1 0 0 0 0 11 38 1 6 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 16 1 1 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 20 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 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 25 2 0 0 0 0 22 52 1 0 0 0 0 23 26 2 0 0 0 0 23 53 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 26 55 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 32 1 0 0 0 0 29 60 1 0 0 0 0 30 33 2 0 0 0 0 30 61 1 0 0 0 0 32 34 2 0 0 0 0 32 62 1 0 0 0 0 33 34 1 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 35 36 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 M END > 60159071 > 1 > 773 > 5 > 3 > 6 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAAAAAAA0YIAAAAAWAAABQAAAHgAQAAAADDzhmAYzxoPABACIAiVSUACCCAAlIgAIiIEObMiPJjbEtZuHOWju9hPa6ae8yKCOAEAAQAAIAAAAgACAABAAAAAAAAAAAA== > 2-[(2R,4aS,12aS)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide > 2-[(2R,4aS,12aS)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide > 2-[(2R,4aS,12aS)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide > 2-[(2R,4aS,12aS)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide > 2-[(2R,4aS,12aS)-8-(ethylcarbamoylamino)-5-methyl-6-oxidanylidene-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]ethanamide > 2-[(2R,4aS,12aS)-8-(ethylcarbamoylamino)-6-keto-5-methyl-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide > InChI=1S/C27H34N4O5/c1-4-28-27(34)30-19-10-13-23-21(14-19)26(33)31(3)22-12-11-20(36-24(22)16-35-23)15-25(32)29-17(2)18-8-6-5-7-9-18/h5-10,13-14,17,20,22,24H,4,11-12,15-16H2,1-3H3,(H,29,32)(H2,28,30,34)/t17-,20-,22+,24-/m1/s1 > YBRLGVDHYMUGPQ-SESZIYJCSA-N > 2.2 > 494.25292020 > C27H34N4O5 > 494.6 > CCNC(=O)NC1=CC2=C(C=C1)OCC3C(CCC(O3)CC(=O)NC(C)C4=CC=CC=C4)N(C2=O)C > CCNC(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@@H](O3)CC(=O)N[C@H](C)C4=CC=CC=C4)N(C2=O)C > 109 > 494.25292020 > 0 > 36 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 37 5 11 38 6 14 16 5 19 21 8 19 22 8 21 23 8 22 25 8 23 26 8 25 26 8 27 29 8 27 30 8 29 32 8 30 33 8 32 34 8 33 34 8 24 7 5 $$$$