60186259 -OEChem-04262409102D 62 65 0 1 0 0 0 0 0999 V2000 2.5851 -0.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5760 -2.9817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7907 -0.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4527 1.2078 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.0250 -1.0473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 -2.1156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7161 0.2251 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9750 -0.7408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3172 -0.2837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5760 -1.2496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7494 -0.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9527 2.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 -1.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4527 2.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4512 0.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 -2.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4582 3.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8595 3.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2503 4.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1163 4.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2526 -2.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9682 -1.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0488 -2.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1853 -3.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 -2.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 -1.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9493 -2.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0229 -3.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1960 -4.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4961 1.0462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1949 -1.5618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8253 -0.6611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9745 -1.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7544 0.5340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3637 -0.0022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4277 2.4723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4277 1.6752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1151 2.4198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0526 0.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8497 0.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4582 2.4243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8416 2.9795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2239 4.3549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3964 3.5433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6607 3.8309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9981 4.5889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7519 5.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5771 4.9373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7346 -2.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2261 -3.7290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0482 0.0263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1130 -3.2917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 -3.5186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0391 -2.6717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0391 -1.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 -0.7127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1130 -0.9396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4620 -2.6141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5812 -4.2297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5447 -5.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6834 -4.8712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8473 -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 51 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 26 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 30 1 6 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 31 1 1 0 0 0 9 10 1 0 0 0 0 9 15 1 1 0 0 0 9 32 1 0 0 0 0 10 16 1 6 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 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 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 17 19 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 20 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 24 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 50 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 28 2 0 0 0 0 27 58 1 0 0 0 0 28 29 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 M END > 60186259 > 1 > 763 > 4 > 1 > 5 > AAADcfB7MAAAAAAAAAAAAAAAAAAAAeIAAAAsQAAABYAAAACAAAAAHgAACAAADSjhgAYCAAMAAgCIAiVSUACAAAAgAgAICAEIAEgIUBoAwQAUQAAGhgCIgYO+EQIOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (1S,9R,10R,11R)-12-(cyclopentylmethyl)-10-(hydroxymethyl)-N,N-dimethyl-6-oxo-5-[(Z)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1S,9R,10R,11R)-12-(cyclopentylmethyl)-10-(hydroxymethyl)-N,N-dimethyl-6-oxo-5-[(Z)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1S,9R,10R,11R)-12-(cyclopentylmethyl)-10-(hydroxymethyl)-N,N-dimethyl-6-oxo-5-[(Z)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1S,9R,10R,11R)-12-(cyclopentylmethyl)-10-(hydroxymethyl)-N,N-dimethyl-6-oxo-5-[(Z)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1S,9R,10R,11R)-12-(cyclopentylmethyl)-10-(hydroxymethyl)-N,N-dimethyl-6-oxidanylidene-5-[(Z)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1S,9R,10R,11R)-12-(cyclopentylmethyl)-6-keto-N,N-dimethyl-10-methylol-5-[(Z)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > InChI=1S/C23H33N3O3/c1-4-7-16-10-11-18-21-20(23(29)24(2)3)17(14-27)19(13-26(18)22(16)28)25(21)12-15-8-5-6-9-15/h4,7,10-11,15,17,19-21,27H,5-6,8-9,12-14H2,1-3H3/b7-4-/t17-,19-,20+,21+/m0/s1 > WFJBZQUTFSGKJB-ZARZASRZSA-N > 1.8 > 399.25219192 > C23H33N3O3 > 399.5 > CC=CC1=CC=C2C3C(C(C(N3CC4CCCC4)CN2C1=O)CO)C(=O)N(C)C > C/C=C\C1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3CC4CCCC4)CN2C1=O)CO)C(=O)N(C)C > 64.1 > 399.25219192 > 0 > 29 > 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 30 6 8 31 5 9 15 5 $$$$