null CDK 0224162207 null 45 49 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 1 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 1 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 C 0 0 1 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 8.2978 -0.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5855 0.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3989 0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9248 0.0691 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 7.1967 -1.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3833 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4844 -0.3435 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 2 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 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 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 6 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 6 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 29 1 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 23 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 8 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 34 1 0 0 0 0 39 40 1 0 0 0 0 40 7 1 0 0 0 0 40 41 1 0 0 0 0 4 42 1 0 0 0 0 42 43 1 6 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 M END > CHEBI:97165 > LSM-8544 > 2 > C37H46N4O4 > 610.787 > 610.35191 > 0 > C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H](CC4=CC=CC=C4)N(C)C)C5=CC=CC=C5N2C)[C@H](C)CO > InChI=1S/C37H46N4O4/c1-25-21-41(26(2)23-42)37(44)35-34(30-18-12-13-19-31(30)40(35)6)29-17-11-10-16-28(29)24-45-33(25)22-39(5)36(43)32(38(3)4)20-27-14-8-7-9-15-27/h7-19,25-26,32-33,42H,20-24H2,1-6H3/t25-,26+,32+,33-/m0/s1 > UJZHWGMAKJZUOC-PSFRKEHKSA-N > LSM-8544 $$$$