null CDK 0224162206 null 45 50 0 0 0 0 0 0 0 0999 V2000 8.6714 0.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2845 1.2139 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 9.9519 2.3699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5040 1.7569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0915 1.0424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1235 3.1769 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 2 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 0.7293 -1.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4743 -2.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3507 -2.5352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6056 -1.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8356 -3.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6561 -3.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1410 -3.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9615 -3.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 -2.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8121 -2.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9916 -2.3627 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 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 4 7 1 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 20 19 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 24 26 1 1 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 29 1 1 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 30 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 36 1 0 0 0 0 21 42 1 0 0 0 0 42 43 1 0 0 0 0 43 14 1 0 0 0 0 43 44 2 0 0 0 0 42 45 1 0 0 0 0 M END > CHEBI:97093 > 2-[(2R,4aS,12aS)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide > 2 > C33H40N6O6 > 616.709 > 616.30093 > 0 > CC1=C(C(=NO1)C)NC(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@H](CC[C@@H](O4)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6)N(C3=O)C > InChI=1S/C33H40N6O6/c1-20-31(21(2)45-37-20)36-33(42)35-23-9-12-28-26(15-23)32(41)38(3)27-11-10-25(44-29(27)19-43-28)16-30(40)34-24-13-14-39(18-24)17-22-7-5-4-6-8-22/h4-9,12,15,24-25,27,29H,10-11,13-14,16-19H2,1-3H3,(H,34,40)(H2,35,36,42)/t24-,25+,27-,29+/m0/s1 > JZQJXXSKGFWMTL-IKQRCTNISA-N > LSM-8472 $$$$