null CDK 0224162334 null 33 35 0 0 0 0 0 0 0 0999 V2000 -3.2670 0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4490 0.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9468 -0.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1288 -0.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6266 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1913 -0.9702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -0.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0048 0.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8131 0.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 1.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 1.6769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 1.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 1.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 1.0045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9795 0.1865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3250 -0.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6940 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4084 0.1865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4084 1.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1229 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1229 -1.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8374 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5519 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2663 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9808 -0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9808 -1.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2663 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5519 -1.0510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8841 1.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5535 2.5635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1369 3.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2434 2.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4569 3.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 4 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 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 7 1 0 0 0 0 15 17 1 6 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 14 29 1 1 0 0 0 12 30 1 0 0 0 0 30 31 1 1 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 M END > CHEBI:110120 > LSM-21547 > 2 > C25H32N4O4 > 452.547 > 452.24236 > 0 > CC=CC1=CN=C2C(=C1)C(=O)N(C[C@H]([C@@H](O2)CN(C)C(=O)CC3=CC=CC=N3)C)[C@H](C)CO > InChI=1S/C25H32N4O4/c1-5-8-19-11-21-24(27-13-19)33-22(17(2)14-29(25(21)32)18(3)16-30)15-28(4)23(31)12-20-9-6-7-10-26-20/h5-11,13,17-18,22,30H,12,14-16H2,1-4H3/t17-,18-,22+/m1/s1 > QZTHWNUUUJWOTB-HMFYCAOWSA-N > LSM-21547 $$$$