null CDK 0225161912 null 34 38 0 0 0 0 0 0 0 0999 V2000 2.4049 0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6905 -0.1510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8655 -0.1510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8655 -0.9760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6905 -0.9760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4049 -1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4049 -2.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1194 -0.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1194 -0.1510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8339 0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8339 1.0865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5483 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2628 0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2628 1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9773 1.4990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6918 1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6918 0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9773 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2821 -1.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4956 -2.3562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2821 0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5148 0.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0982 0.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8846 1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0877 1.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4956 1.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 2.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2649 1.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8482 2.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6451 2.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2285 2.9221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0150 3.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2181 3.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6347 3.3492 0.0000 C 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 2 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 1 1 0 0 0 0 9 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 2 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 13 1 0 0 0 0 4 19 1 1 0 0 0 19 20 1 0 0 0 0 3 21 1 6 0 0 0 21 22 2 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 21 1 0 0 0 0 27 24 1 4 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 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 29 1 0 0 0 0 M END > CHEBI:126252 > LSM-37818 > 2 > C28H27N3O3 > 453.533 > 453.20524 > 0 > C1[C@H]2[C@H]([C@@H](N2C(=O)CN1C(=O)CC3=CN=CC=C3)CO)C4=CC=C(C=C4)C=CC5=CC=CC=C5 > InChI=1S/C28H27N3O3/c32-19-25-28(23-12-10-21(11-13-23)9-8-20-5-2-1-3-6-20)24-17-30(18-27(34)31(24)25)26(33)15-22-7-4-14-29-16-22/h1-14,16,24-25,28,32H,15,17-19H2/t24-,25-,28+/m0/s1 > ZAAUORSXPDRDRM-PNIUZAESSA-N > LSM-37818 $$$$