60186260 -OEChem-04182420452D 62 65 0 1 0 0 0 0 0999 V2000 2.8082 -0.3474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7991 -3.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0137 -0.9844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6758 1.1440 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.2481 -1.1110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2991 -2.1794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9392 0.1614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1980 -0.8045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5402 -0.3474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7991 -1.3134 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9724 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1758 2.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4190 -1.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6758 2.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6742 0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2991 -2.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6813 2.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0825 3.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4734 3.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3394 4.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4757 -2.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1912 -1.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2719 -2.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4083 -3.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7991 -3.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7991 -1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1723 -3.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2459 -4.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1464 -4.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7192 0.9824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4180 -1.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0484 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1975 -1.7884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9775 0.4702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5867 -0.0660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6507 2.4086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6507 1.6115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2950 2.9085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2757 0.6275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0728 0.6275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6813 2.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0647 2.9158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4470 4.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6195 3.4796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8837 3.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2212 4.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 4.9603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8001 4.8736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9577 -3.0510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4492 -3.7928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2713 -0.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3360 -3.3554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4891 -3.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2621 -2.7354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2621 -1.6234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4891 -0.7764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3360 -1.0034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6850 -2.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7333 -4.3725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4161 -3.9004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7047 -4.7284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8768 -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 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 > 60186260 > 1 > 763 > 4 > 1 > 5 > AAADcfB7MAAAAAAAAAAAAAAAAAAAAeIAAAAsQAAABYAAAACAAAAAHgAACAAADSjhgAYCAAMAAgCIAiVSUACAAAAgAgAICAEIAEgIUBoAwQAUQAAGhgCIgYO+EQIOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (1S,9R,10R,11R)-12-(cyclopentylmethyl)-10-(hydroxymethyl)-N,N-dimethyl-6-oxo-5-[(E)-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-[(E)-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-[(E)-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-[(E)-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-[(E)-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-[(E)-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-DPKHYAAYSA-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 $$$$