54661394 -OEChem-04262414062D 65 68 0 1 0 0 0 0 0999 V2000 3.2265 -0.3474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2173 -3.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4320 -0.9844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0941 1.1440 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.6663 -1.1110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7173 -2.1794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3575 0.1614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6163 -0.8045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9585 -0.3474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2173 -1.3134 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3907 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5941 2.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8373 -1.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0941 2.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0925 0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7173 -2.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0996 2.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5008 3.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8916 3.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7577 4.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8939 -2.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6095 -1.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6901 -2.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8266 -3.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2173 -3.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5906 -3.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2173 -3.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6642 -4.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7173 -3.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5647 -4.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 0.9824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8363 -1.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4666 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6158 -1.7884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3958 0.4702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0050 -0.0660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0690 2.4086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0690 1.6115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7132 2.9085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6940 0.6275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4910 0.6275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0996 2.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4830 2.9158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8652 4.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0378 3.4796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3020 3.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6395 4.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3932 4.9603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2184 4.8736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3760 -3.0510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4073 -1.6424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8675 -3.7928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6895 -0.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -3.2575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1097 -3.6560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1033 -2.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6347 -2.8333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 -2.4348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1516 -4.3725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2543 -4.2214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4073 -4.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1804 -3.6014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8343 -3.9004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1230 -4.7284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2951 -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 53 1 0 0 0 0 2 16 2 0 0 0 0 3 22 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 5 22 1 0 0 0 0 6 16 1 0 0 0 0 6 25 1 0 0 0 0 6 51 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 31 1 6 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 32 1 1 0 0 0 9 10 1 0 0 0 0 9 15 1 1 0 0 0 9 33 1 0 0 0 0 10 16 1 6 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 21 2 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 17 19 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 20 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 24 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 52 1 0 0 0 0 25 27 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 28 2 0 0 0 0 26 56 1 0 0 0 0 27 29 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 30 1 0 0 0 0 28 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 M END > 54661394 > 1 > 766 > 4 > 2 > 7 > AAADcfB7MAAAAAAAAAAAAAAAAAAAAeIAAAAsQAAABYAAAACAAAAAHgAQCAAADSjhgAYCAAPAAgCIAiVSUACAAAAgAgAICIEIAEgIUBoAwQAUQAAGlgCIgYO+EQIOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (1S,9R,10R,11R)-12-(cyclopentylmethyl)-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-(cyclopentylmethyl)-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-(cyclopentylmethyl)-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-(cyclopentylmethyl)-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-(cyclopentylmethyl)-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-(cyclopentylmethyl)-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/C24H35N3O3/c1-3-7-17-10-11-19-22-21(23(29)25-12-4-2)18(15-28)20(14-27(19)24(17)30)26(22)13-16-8-5-6-9-16/h3,7,10-11,16,18,20-22,28H,4-6,8-9,12-15H2,1-2H3,(H,25,29)/b7-3+/t18-,20-,21+,22+/m0/s1 > GKHQQRXCSHYBEI-CQFJZHDHSA-N > 2.5 > 413.26784199 > C24H35N3O3 > 413.6 > CCCNC(=O)C1C(C2CN3C(=CC=C(C3=O)C=CC)C1N2CC4CCCC4)CO > CCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)/C=C/C)[C@H]1N2CC4CCCC4)CO > 72.9 > 413.26784199 > 0 > 30 > 4 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 10 16 6 13 21 8 21 24 8 22 23 8 23 24 8 5 13 8 5 22 8 7 31 6 8 32 5 9 15 5 $$$$