null CDK 0224162205 null 41 44 0 0 0 0 0 0 0 0999 V2000 5.6736 2.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9114 2.0344 0.0000 C 0 0 1 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 4.3281 0.6260 0.0000 N 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 3.1874 -0.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9197 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9197 2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2053 2.4469 0.0000 N 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 0 0 0 0 0 0 0 0 0 0 2.2053 0.7969 0.0000 C 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 0.0618 0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6526 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6526 -0.8531 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 -2.0816 -0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0816 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3671 0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 -1.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5105 -1.6781 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3835 -1.9801 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.2085 -0.5511 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5031 2.6178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3281 2.6178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6438 3.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1416 4.0345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3236 3.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4573 4.7967 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2195 4.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 5.1124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7730 5.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3419 6.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8777 6.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6399 6.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5752 5.7515 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 -0.1362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1416 -0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4617 -0.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7775 -1.0061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 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 11 13 1 0 0 0 0 13 14 3 0 0 0 0 14 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 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 8 25 1 0 0 0 0 25 26 1 0 0 0 0 26 2 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 33 1 0 0 0 0 4 38 1 0 0 0 0 38 39 1 1 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 M END > CHEBI:95548 > N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide > 2 > C28H28F3N3O5S2 > 607.667 > 607.14225 > 0 > C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CC=C(C=C3)C(F)(F)F)O[C@H]1CN(C)S(=O)(=O)C4=CC=CS4)[C@H](C)CO > InChI=1S/C28H28F3N3O5S2/c1-18-15-34(19(2)17-35)27(36)23-13-21(7-6-20-8-10-22(11-9-20)28(29,30)31)14-32-26(23)39-24(18)16-33(3)41(37,38)25-5-4-12-40-25/h4-5,8-14,18-19,24,35H,15-17H2,1-3H3/t18-,19+,24-/m0/s1 > BZYDVGAUUQCKCK-GLDPYIMESA-N > LSM-6927 $$$$