54664514 -OEChem-05112419512D 64 67 0 1 0 0 0 0 0999 V2000 9.9960 -0.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6284 2.0738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0052 -2.9817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7905 -0.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1284 1.2078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5562 -1.0473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5052 -2.1156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8651 0.2251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2640 -0.2837 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6062 -0.7408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0052 -1.2496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8318 -0.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3852 -1.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6284 2.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1300 0.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1284 2.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5052 -2.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1230 3.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7217 3.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3286 -2.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 -1.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3309 4.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4649 4.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5324 -2.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3959 -3.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0052 -2.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6319 -2.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0052 -2.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 -3.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5052 -3.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -4.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0851 1.0462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7559 -0.6611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3863 -1.5618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6067 -1.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8268 0.5340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2175 -0.0022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5285 0.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7315 0.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4661 2.4198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1230 2.4243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7396 2.9795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3573 4.3549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1848 3.5433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8466 -2.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9205 3.8309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5831 4.5889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8293 5.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0041 4.9373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8152 -1.5787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3551 -3.7290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5330 0.0263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4226 -3.1937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1128 -3.5922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1192 -2.6141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5878 -2.7696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8975 -2.3711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9682 -4.1577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8152 -4.3846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0421 -3.5377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0365 -5.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8978 -4.8712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7338 -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 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 > 54664514 > 1 > 840 > 4 > 2 > 6 > AAADcfB7OAAAAAAAAAAAAAAAAAAAAeIAAAAsQAAABYAAAACAAAAAHgAQCAAADSjhgAYCAAPAAgCIAiVSUACAAAAgAgAICIEIAEgIUBoAwQAUQAAGlgCIgYO+GQIOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (1R,9S,10S,11S)-12-(cyclopentanecarbonyl)-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 > (1R,9S,10S,11S)-12-[cyclopentyl(oxo)methyl]-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 > (1R,9S,10S,11S)-12-(cyclopentanecarbonyl)-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 > (1R,9S,10S,11S)-12-(cyclopentanecarbonyl)-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 > (1R,9S,10S,11S)-12-cyclopentylcarbonyl-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 > (1R,9S,10S,11S)-12-(cyclopentanecarbonyl)-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/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+/m1/s1 > PFBACNMROORGKQ-NICIYNFYSA-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 $$$$