210143 -OEChem-03292405212D 51 55 0 1 0 0 0 0 0999 V2000 6.3474 2.2715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2134 0.7715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8393 -0.7354 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4814 -0.2285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7493 0.7715 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7493 -0.2285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6153 1.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6153 -0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8911 1.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4814 0.7715 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7493 1.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0256 0.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6314 -1.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8313 -1.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7334 -2.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0993 -1.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6194 -1.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8833 2.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3474 1.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1338 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1408 -2.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6758 -1.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1760 -2.7591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2134 2.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7493 -1.0785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0139 1.7464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2168 1.7464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2922 1.7412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4971 1.7471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0183 0.4615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 1.6638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9614 2.3541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8239 1.3705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4128 0.6899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3929 -0.0813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7682 -0.7822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2213 -1.6662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6177 -2.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3361 -2.7738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1343 -2.7707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1933 2.8084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3464 2.5815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5733 1.7345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4269 -0.4242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8352 -3.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2956 -1.8379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4944 -3.2910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5234 2.2345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7504 3.0815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9034 3.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 25 1 0 0 0 0 2 20 2 0 0 0 0 3 6 1 0 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 6 0 0 0 6 8 1 0 0 0 0 6 26 1 6 0 0 0 7 10 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 14 2 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 20 1 6 0 0 0 10 31 1 0 0 0 0 11 19 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 18 22 2 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 21 23 1 0 0 0 0 21 45 1 0 0 0 0 22 24 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 M END > 210143 > 1 > 552 > 3 > 0 > 3 > AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8WLEAAAAAAFix8AAAHgAAAAAADijBngYyyPMMFACoAyTyTACCgCAhAiAI2CG4ZJgKYPLAkbGVIAhkgADYyAeY2eOfgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > methyl (15S,17R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate > (15S,17R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylic acid methyl ester > methyl (15S,17R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate > methyl (15S,17R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate > methyl (15S,17R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate > (15S,17R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylic acid methyl ester > InChI=1S/C21H26N2O2/c1-3-21-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(18(15)19(21)22)17(13-21)20(24)25-2/h4-5,7-8,17,19H,3,6,9-13H2,1-2H3/t17-,19-,21+/m1/s1 > BOAFIDYFQWIRTC-QFUCXCTJSA-N > 3.6 > 338.199428076 > C21H26N2O2 > 338.4 > CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)C(=O)OC > CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@H](C2)C(=O)OC > 34.5 > 338.199428076 > 0 > 25 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 20 6 14 18 8 17 18 8 17 21 8 18 22 8 21 23 8 22 24 8 23 24 8 4 17 8 4 8 8 5 11 6 6 26 6 8 14 8 $$$$