Mrv1652306242117273D 50 55 0 0 0 0 999 V2000 -1.1640 -2.3589 0.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -0.9477 0.0457 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5868 -0.7679 -1.4482 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6437 -0.7654 0.7361 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8780 -1.1116 0.0039 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9870 -0.1921 0.5120 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3411 -0.6457 0.1877 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8388 0.3496 -0.8225 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9239 1.5231 -0.8122 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7389 1.0865 -0.1663 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 1.5160 0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8524 2.4394 -0.6162 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 0.7253 1.0829 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7275 1.1413 1.3073 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5559 -0.0009 0.7562 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1071 -0.7153 1.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3796 -1.2229 2.8567 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5043 -0.7040 1.8350 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8407 -0.0029 0.6532 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1300 0.2502 0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3149 0.9580 -0.9886 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2021 1.4038 -1.6566 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 1.1450 -1.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7153 0.4391 -0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 0.7920 2.2428 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7886 0.1312 1.9745 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6274 -0.1517 2.8463 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6637 -2.7215 1.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8845 -2.9875 -0.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2778 -2.3256 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1499 0.1672 -1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 -1.6644 -1.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6243 -0.8282 -1.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6279 -1.3742 1.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7324 -0.8956 -1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 -2.1783 0.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3513 -1.6490 -0.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9954 -0.7513 1.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8868 0.6243 -0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9202 -0.0651 -1.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7091 1.9192 -1.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4452 2.3601 -0.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0073 2.1003 0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9138 1.3281 2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1457 -1.1548 2.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0107 -0.1010 0.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3241 1.1410 -1.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3272 1.9618 -2.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1167 1.5249 -1.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3013 1.2561 3.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 13 11 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 1 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 13 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 15 2 1 0 0 0 0 24 19 1 0 0 0 0 13 4 1 0 0 0 0 24 15 1 0 0 0 0 10 6 1 0 0 0 0 6 26 1 1 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 34 1 1 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 18 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 25 50 1 0 0 0 0 M END > NP0016211 > NP-MRD > [H]N1C2=C([H])C([H])=C([H])C([H])=C2[C@]2(C1=O)C([H])([H])[C@]13N([H])C(=O)[C@]4(N(C1=O)C([H])([H])C([H])([H])C4([H])[H])C([H])([H])[C@]3([H])C2(C([H])([H])[H])C([H])([H])[H] > InChI=1S/C21H23N3O3/c1-18(2)14-10-19-8-5-9-24(19)17(27)21(14,23-15(19)25)11-20(18)12-6-3-4-7-13(12)22-16(20)26/h3-4,6-7,14H,5,8-11H2,1-2H3,(H,22,26)(H,23,25)/t14-,19-,20+,21-/m1/s1 > PZTOWERCGLXQSU-MSPZUWAUSA-N > C21H23N3O3 > 365.433 > 365.173941613 > 3 > 50 > 38.331796457810206 > 1 > 2 > 0 > 1 > (1'R,3S,3'R,7'R)-4',4'-dimethyl-1,2-dihydro-9',14'-diazaspiro[indole-3,5'-tetracyclo[5.5.2.0^{1,9}.0^{3,7}]tetradecane]-2,8',13'-trione > 1.88 > 1.1417953169999995 > -2.88 > 0 > 6 > 0 > 13.213872086326145 > 10.825838050897088 > -2.8716360292780245 > 78.51 > 99.0266 > 0 > 1 > 4.82e-01 g/l > (1'R,3S,3'R,7'R)-4',4'-dimethyl-1H-9',14'-diazaspiro[indole-3,5'-tetracyclo[5.5.2.0^{1,9}.0^{3,7}]tetradecane]-2,8',13'-trione > 0 > NP0016211 > Brevianamide X $$$$