null CDK 0224162301 null 36 40 0 0 0 0 0 0 0 0999 V2000 -2.8855 1.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2304 1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4686 1.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8135 0.9767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0517 1.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6507 1.8605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6034 0.7917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5134 -0.1595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3330 -0.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9179 0.3277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6732 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7634 -0.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3383 0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2481 1.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4929 1.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8277 1.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1304 1.5886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3509 1.3182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0764 0.5402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7437 0.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0756 -0.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2308 1.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0002 2.2009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 2.6995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 3.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3813 4.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4162 4.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 3.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7823 2.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6318 5.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4293 5.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 6.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4424 6.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0242 5.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8085 4.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0111 4.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 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 1 0 0 0 0 8 9 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 17 16 1 1 0 0 0 17 7 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 8 1 0 0 0 0 19 20 1 6 0 0 0 20 21 1 0 0 0 0 18 22 1 1 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 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 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 31 1 0 0 0 0 M END > CHEBI:99000 > LSM-10379 > 2 > C28H36N4O4 > 492.611 > 492.27366 > 0 > CCCNC(=O)N1[C@H]2CN3C(=O)C=CC=C3[C@@H]1[C@@H]([C@H]2CO)C(=O)N4CCC(CC4)CC5=CC=CC=C5 > InChI=1S/C28H36N4O4/c1-2-13-29-28(36)32-23-17-31-22(9-6-10-24(31)34)26(32)25(21(23)18-33)27(35)30-14-11-20(12-15-30)16-19-7-4-3-5-8-19/h3-10,20-21,23,25-26,33H,2,11-18H2,1H3,(H,29,36)/t21-,23-,25+,26+/m0/s1 > VALQRGDBSGWYJJ-AAOIWRJWSA-N > LSM-10379 $$$$