54661393 -OEChem-05112413302D 65 68 0 1 0 0 0 0 0999 V2000 2.9994 -0.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9903 -2.9817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2050 -0.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8670 1.2078 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.4393 -1.0473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4903 -2.1156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1304 0.2251 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3892 -0.7408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7315 -0.2837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9903 -1.2496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1637 -0.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3670 2.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6103 -1.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8670 2.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8655 0.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4903 -2.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8725 3.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2738 3.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6646 4.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5306 4.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6669 -2.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3825 -1.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4631 -2.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5996 -3.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9903 -2.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3636 -2.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9903 -2.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4372 -3.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4903 -3.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6103 -4.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9104 1.0462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6092 -1.5618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2396 -0.6611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3888 -1.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1687 0.5340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7780 -0.0022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8420 2.4723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8420 1.6752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5294 2.4198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4669 0.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2640 0.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8725 2.4243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2559 2.9795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6382 4.3549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8107 3.5433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 3.8309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4124 4.5889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1662 5.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9914 4.9373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1489 -2.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1803 -1.5787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6404 -3.7290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 0.0263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5729 -3.1937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8826 -3.5922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8763 -2.6141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4077 -2.7696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 -2.3711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9955 -4.2297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0272 -4.1577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1803 -4.3846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9534 -3.5377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9590 -5.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0977 -4.8712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2616 -4.0098 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 > 54661393 > 1 > 766 > 4 > 2 > 7 > AAADcfB7MAAAAAAAAAAAAAAAAAAAAeIAAAAsQAAABYAAAACAAAAAHgAQCAAADSjhgAYCAAPAAgCIAiVSUACAAAAgAgAICIEIAEgIUBoAwQAUQAAGlgCIgYO+EQIOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (1S,9R,10R,11R)-12-(cyclopentylmethyl)-10-(hydroxymethyl)-6-oxo-5-[(Z)-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-[(Z)-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-[(Z)-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-[(Z)-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-[(Z)-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-[(Z)-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-XYAFMOLLSA-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 $$$$