10314057 -OEChem-03282421282D 46 50 0 1 0 0 0 0 0999 V2000 7.6789 0.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8129 2.0488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3369 -0.7245 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9022 1.9866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2620 0.5488 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2620 -0.4239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3369 0.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1045 -0.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9469 -0.4239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1045 1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7652 0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5392 1.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1101 -1.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9469 0.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3422 -1.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9348 2.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5718 1.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8129 1.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8422 -2.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 2.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3956 2.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8422 -2.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5450 1.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7928 -1.1327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5891 1.4158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 1.1594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7059 -1.3853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5030 -1.3853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7680 -0.6437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3044 0.4773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3044 -0.3524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5767 -1.7883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2739 -2.0703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2666 2.4882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3196 0.5316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5322 -2.8753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6152 3.4417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 1.8202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0312 3.2752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8422 -2.9583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4622 -2.3384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8422 -1.7184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8550 0.5119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0819 1.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2350 1.5857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 24 1 0 0 0 0 2 18 2 0 0 0 0 3 6 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 1 0 0 0 6 8 1 0 0 0 0 6 25 1 1 0 0 0 7 11 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 30 1 1 0 0 0 10 14 2 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 16 1 0 0 0 0 12 17 2 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 18 1 0 0 0 0 15 19 2 0 0 0 0 16 20 2 0 0 0 0 17 21 1 0 0 0 0 17 36 1 0 0 0 0 19 23 1 0 0 0 0 19 37 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 M END > 10314057 > 1 > 652 > 4 > 1 > 2 > AAADceB7MAAAAAAAAAAAAAAAAAAAAWLAAAA8QIAAAAAAAFgBAAAAHgAQAAAADyjBmAYyyIPABACIAiTSSACCAAAhAgAIiAEIZMgIJDLA8ZGEMAhkkADI6UeY2eOfgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > methyl (1R,11S,12E,17S)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate > (1R,11S,12E,17S)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylic acid methyl ester > methyl (1R,11S,12E,17S)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate > methyl (1R,11S,12E,17S)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate > methyl (1R,11S,12E,17S)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate > (1R,11S,12E,17S)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylic acid methyl ester > InChI=1S/C20H22N2O2/c1-3-12-11-22-9-8-20-14-6-4-5-7-15(14)21-18(20)17(19(23)24-2)13(12)10-16(20)22/h3-7,13,16,21H,8-11H2,1-2H3/b12-3-/t13-,16-,20+/m0/s1 > AGZMFTKKLPHOMT-DUJTVWLASA-N > 2.4 > 322.168127949 > C20H22N2O2 > 322.4 > CC=C1CN2CCC34C2CC1C(=C3NC5=CC=CC=C45)C(=O)OC > C/C=C\1/CN2CC[C@@]34[C@@H]2C[C@@H]1C(=C3NC5=CC=CC=C45)C(=O)OC > 41.6 > 322.168127949 > 0 > 24 > 3 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 12 16 8 12 17 8 16 20 8 17 21 8 20 22 8 21 22 8 5 12 5 6 25 5 9 30 5 $$$$