54664512 -OEChem-05122419402D 64 67 0 1 0 0 0 0 0999 V2000 3.1096 -0.3474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4772 2.0100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1005 -3.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3151 -0.9844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9772 1.1440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5494 -1.1110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6005 -2.1794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2406 0.1614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8416 -0.3474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4994 -0.8045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1005 -1.3134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2738 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7204 -1.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4772 2.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9756 0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9772 2.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6005 -2.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9827 2.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3839 3.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7770 -2.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4926 -1.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7748 3.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6408 4.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5733 -2.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7097 -3.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1005 -3.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4737 -3.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1005 -3.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5473 -4.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6005 -3.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4478 -4.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0206 0.9824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3498 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7194 -1.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4989 -1.7884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2789 0.4702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8881 -0.0660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5771 0.6275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3741 0.6275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5963 2.9085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9827 2.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3661 2.9158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7484 4.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9209 3.4796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2591 -3.0510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1851 3.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5226 4.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2764 4.9603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1015 4.8736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2904 -1.6424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7506 -3.7928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5726 -0.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6831 -3.2575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9928 -3.6560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9864 -2.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5178 -2.8333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2081 -2.4348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0347 -4.3725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1374 -4.2214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2905 -4.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0635 -3.6014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7175 -3.9004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0061 -4.7284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1782 -5.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 52 1 0 0 0 0 2 14 2 0 0 0 0 3 17 2 0 0 0 0 4 21 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 21 1 0 0 0 0 7 17 1 0 0 0 0 7 26 1 0 0 0 0 7 50 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 32 1 6 0 0 0 9 11 1 0 0 0 0 9 15 1 1 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 34 1 1 0 0 0 11 17 1 6 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 20 2 0 0 0 0 14 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 40 1 0 0 0 0 18 22 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 23 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 25 1 0 0 0 0 20 45 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 51 1 0 0 0 0 26 28 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 29 2 0 0 0 0 27 55 1 0 0 0 0 28 30 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 31 1 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 M END > 54664512 > 1 > 840 > 4 > 2 > 6 > AAADcfB7OAAAAAAAAAAAAAAAAAAAAeIAAAAsQAAABYAAAACAAAAAHgAQCAAADSjhgAYCAAPAAgCIAiVSUACAAAAgAgAICIEIAEgIUBoAwQAUQAAGlgCIgYO+GQIOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (1S,9R,10R,11R)-12-(cyclopentanecarbonyl)-10-(hydroxymethyl)-6-oxo-5-[(E)-prop-1-enyl]-N-propyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1S,9R,10R,11R)-12-[cyclopentyl(oxo)methyl]-10-(hydroxymethyl)-6-oxo-5-[(E)-prop-1-enyl]-N-propyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1S,9R,10R,11R)-12-(cyclopentanecarbonyl)-10-(hydroxymethyl)-6-oxo-5-[(E)-prop-1-enyl]-N-propyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1S,9R,10R,11R)-12-(cyclopentanecarbonyl)-10-(hydroxymethyl)-6-oxo-5-[(E)-prop-1-enyl]-N-propyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1S,9R,10R,11R)-12-cyclopentylcarbonyl-10-(hydroxymethyl)-6-oxidanylidene-5-[(E)-prop-1-enyl]-N-propyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1S,9R,10R,11R)-12-(cyclopentanecarbonyl)-6-keto-10-methylol-5-[(E)-prop-1-enyl]-N-propyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > InChI=1S/C24H33N3O4/c1-3-7-15-10-11-18-21-20(22(29)25-12-4-2)17(14-28)19(13-26(18)23(15)30)27(21)24(31)16-8-5-6-9-16/h3,7,10-11,16-17,19-21,28H,4-6,8-9,12-14H2,1-2H3,(H,25,29)/b7-3+/t17-,19-,20+,21+/m0/s1 > PFBACNMROORGKQ-XRZNFWPMSA-N > 1.6 > 427.24710654 > C24H33N3O4 > 427.5 > CCCNC(=O)C1C(C2CN3C(=CC=C(C3=O)C=CC)C1N2C(=O)C4CCCC4)CO > CCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)/C=C/C)[C@H]1N2C(=O)C4CCCC4)CO > 90 > 427.24710654 > 0 > 31 > 4 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 10 34 5 11 17 6 13 20 8 20 25 8 21 24 8 24 25 8 6 13 8 6 21 8 8 32 6 9 15 5 $$$$