null CDK 0224162208 null 37 41 0 0 0 0 0 0 0 0999 V2000 5.1447 2.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 1.4084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4124 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1269 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8413 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8413 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1269 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4124 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8290 -0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 -0.5834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4207 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4207 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 1.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6883 2.1706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7062 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7062 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2773 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5628 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5628 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1517 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8662 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5806 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5806 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8662 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1517 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2951 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2951 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5558 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2703 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2703 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9847 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4137 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2387 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8262 -1.1270 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 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 7 1 1 0 0 0 8 3 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 2 1 0 0 0 0 13 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 11 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 6 30 1 6 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 35 1 0 0 0 0 M END > CHEBI:97229 > N-[(2R,4aR,12aR)-2-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-methoxybenzamide > 2 > C28H33N3O6 > 507.579 > 507.23694 > 0 > CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)OC)CC(=O)NCC5CC5 > InChI=1S/C28H33N3O6/c1-31-23-11-10-21(14-26(32)29-15-17-3-4-17)37-25(23)16-36-24-12-7-19(13-22(24)28(31)34)30-27(33)18-5-8-20(35-2)9-6-18/h5-9,12-13,17,21,23,25H,3-4,10-11,14-16H2,1-2H3,(H,29,32)(H,30,33)/t21-,23-,25+/m1/s1 > IGRBOWQNYYEHHT-PFATUAPWSA-N > LSM-8608 $$$$