null CDK 0225161910 null 40 42 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 1 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 1 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 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7981 -1.3761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8206 -2.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9646 -1.3536 0.0000 C 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 9.1208 -3.4354 0.0000 C 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 9.5171 -1.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7153 -1.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5079 -0.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1024 -1.3761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9042 -2.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1116 -2.4057 0.0000 C 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 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 2 0 0 0 0 22 25 1 0 0 0 0 11 26 1 0 0 0 0 26 27 1 6 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 9 30 1 6 0 0 0 8 31 1 1 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 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 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 35 1 0 0 0 0 M END > CHEBI:124006 > N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide > 2 > C29H44N4O6S > 576.750 > 576.29816 > 0 > C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3 > InChI=1S/C29H44N4O6S/c1-21-17-33(22(2)20-34)29(35)26-16-25(31-40(5,36)37)9-10-27(26)39-23(3)8-6-7-15-38-28(21)19-32(4)18-24-11-13-30-14-12-24/h9-14,16,21-23,28,31,34H,6-8,15,17-20H2,1-5H3/t21-,22+,23+,28-/m1/s1 > GAZXHMFIMHCKKU-YFUNBVQMSA-N > LSM-35448 $$$$