null CDK 0224162303 null 36 39 0 0 0 0 0 0 0 0999 V2000 9.9127 2.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1983 2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4838 2.4469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7693 2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7693 1.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0549 2.4469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3404 2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6259 2.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9114 2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9114 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6259 0.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3404 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3281 0.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5031 0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9197 1.2094 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9197 2.0344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2053 2.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 1.2094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2053 0.7969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 0.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 -0.4406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 -0.4406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 -1.2656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7763 -1.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6526 -1.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6526 -2.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3671 -2.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0816 -2.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0816 -1.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3671 -1.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5031 2.6178 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3281 2.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 3.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1874 3.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 19 21 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 16 33 1 0 0 0 0 33 34 1 0 0 0 0 34 9 1 0 0 0 0 34 35 2 0 0 0 0 33 36 1 0 0 0 0 M END > CHEBI:99358 > 2-[(2R,4aR,12aS)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide > 2 > C27H34N4O5 > 494.584 > 494.25292 > 0 > 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 > 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+/m0/s1 > YBRLGVDHYMUGPQ-RAHFMFPQSA-N > LSM-10737 $$$$