null CDK 0224162318 null 32 36 0 0 0 0 0 0 0 0999 V2000 0.8168 -2.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8331 -1.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5556 -1.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2618 -1.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2455 -2.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 -2.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9842 -1.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6904 -1.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0005 -0.2892 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3427 0.2088 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6131 0.9883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9554 1.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2785 1.0146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5179 0.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9539 -0.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1505 -0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 0.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2356 1.9915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8924 0.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4564 0.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2598 0.3726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4993 1.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9353 1.7642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1318 1.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4379 0.9720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6774 0.1825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4568 -0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6124 -0.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0807 0.4520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9359 1.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7545 1.5274 0.0000 O 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 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 9 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 18 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 20 1 0 0 0 0 11 26 1 0 0 0 0 26 27 1 0 0 0 0 27 9 1 0 0 0 0 27 28 1 1 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 26 31 1 6 0 0 0 31 32 1 0 0 0 0 M END > CHEBI:101845 > (2S,3S,3aR,9bR)-1-[cyclohexyl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid > 2 > C23H26N4O5 > 438.477 > 438.19032 > 0 > C1CCC(CC1)C(=O)N2[C@@H]3[C@@H](CN4C3=CC=C(C4=O)C5=CN=CN=C5)[C@@H]([C@H]2C(=O)O)CO > InChI=1S/C23H26N4O5/c28-11-17-16-10-26-18(7-6-15(22(26)30)14-8-24-12-25-9-14)19(16)27(20(17)23(31)32)21(29)13-4-2-1-3-5-13/h6-9,12-13,16-17,19-20,28H,1-5,10-11H2,(H,31,32)/t16-,17-,19+,20-/m0/s1 > QRMANUUKSUBTTM-XEYPJELSSA-N > LSM-13207 $$$$