null CDK 0224162227 null 41 45 0 0 0 0 0 0 0 0999 V2000 4.1783 -3.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9602 -2.8659 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9769 -2.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1976 -1.7703 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6993 -2.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9140 -3.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8208 -2.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -3.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0895 -4.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4654 -4.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6205 -5.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3998 -5.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0240 -5.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8688 -4.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8998 -3.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2496 -4.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5204 -3.5739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3338 -3.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6215 -2.6632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0956 -2.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4349 -2.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9607 -3.1614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7226 -1.7524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5360 -1.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8237 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6371 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1629 -1.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8753 -2.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0618 -2.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7252 -3.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1608 -4.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3575 -3.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1185 -3.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6829 -2.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4862 -2.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1633 -2.1376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 -1.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9586 -0.9807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1553 -0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5230 -0.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3263 -0.5667 0.0000 O 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 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 2 1 0 0 0 0 17 18 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 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 8 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 30 1 0 0 0 0 35 36 1 0 0 0 0 36 7 1 0 0 0 0 36 37 1 0 0 0 0 4 38 1 0 0 0 0 38 39 1 1 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 M END > CHEBI:97749 > LSM-9128 > 2 > C33H44N4O4 > 560.728 > 560.33626 > 0 > C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4CCCCC4)C5=CC=CC=C5N2C)[C@@H](C)CO > InChI=1S/C33H44N4O4/c1-22-18-37(23(2)20-38)32(39)31-30(27-16-10-11-17-28(27)36(31)4)26-15-9-8-12-24(26)21-41-29(22)19-35(3)33(40)34-25-13-6-5-7-14-25/h8-12,15-17,22-23,25,29,38H,5-7,13-14,18-21H2,1-4H3,(H,34,40)/t22-,23+,29-/m1/s1 > INXMEFHWZGRULI-RLPNJSHFSA-N > LSM-9128 $$$$