null CDK 0225161917 null 47 49 0 0 0 0 0 0 0 0999 V2000 4.7613 -0.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3558 -0.8040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1484 -0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7429 -1.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5355 -0.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1300 -1.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9318 -2.2913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1392 -2.5201 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9411 -3.3210 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1484 -3.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5539 -2.9778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7613 -3.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5631 -4.0074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1668 -2.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 -1.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1576 -1.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7705 -1.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9779 -1.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7797 -2.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3742 -2.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9871 -2.5201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3926 -1.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5908 -1.1472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -2.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0055 -1.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7871 -1.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5798 -2.0625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -2.6263 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0159 -1.0411 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3558 -3.7786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8490 -4.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9503 -4.3506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7521 -5.1515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5355 -3.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7337 -3.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5263 -2.8633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7245 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1208 -3.4354 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 -4.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6928 -2.8409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7153 -4.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5079 -3.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1024 -4.3506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9042 -5.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1116 -5.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5171 -4.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4987 -5.7235 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 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 1 0 0 0 0 6 7 1 0 0 0 0 7 8 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 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 2 1 0 0 0 0 15 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 14 1 0 0 0 0 19 21 1 0 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 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 11 30 1 0 0 0 0 30 31 1 6 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 9 34 1 1 0 0 0 8 35 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 2 0 0 0 0 38 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 41 1 0 0 0 0 44 47 1 0 0 0 0 M END > CHEBI:129336 > N-[(3R,9S,10S)-9-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4,4,4-trifluorobutanamide > 2 > C32H43ClF3N3O7S > 706.215 > 705.24623 > 0 > C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)Cl > InChI=1S/C32H43ClF3N3O7S/c1-21-18-39(22(2)20-40)31(42)27-17-25(37-30(41)14-15-32(34,35)36)10-13-28(27)46-23(3)7-5-6-16-45-29(21)19-38(4)47(43,44)26-11-8-24(33)9-12-26/h8-13,17,21-23,29,40H,5-7,14-16,18-20H2,1-4H3,(H,37,41)/t21-,22-,23+,29+/m0/s1 > FBZKDZRIIZOXOE-UJUOIFIWSA-N > LSM-40887 $$$$