Mrv1652304292205042D 27 29 0 0 1 0 999 V2000 3.3523 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 2.1904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0768 -0.1006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0735 -0.9118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7534 -1.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5819 -2.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5646 -1.2288 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0319 -0.5489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8816 0.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2017 0.7296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3905 0.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0589 1.2712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7008 0.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3034 0.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 -1.9207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6394 -2.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8378 -1.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2871 -2.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 2.3479 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 11 10 1 1 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 11 19 1 0 0 0 0 19 20 2 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 15 23 1 1 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 1 27 1 0 0 0 0 M END > NP0082023 > NP-MRD > CC[C@H](C)[C@H]1NC(C)(C)NC(=O)[C@@H](CC2=CNC3=CC(I)=CC=C23)NC1=O > InChI=1S/C20H27IN4O2/c1-5-11(2)17-19(27)23-16(18(26)25-20(3,4)24-17)8-12-10-22-15-9-13(21)6-7-14(12)15/h6-7,9-11,16-17,22,24H,5,8H2,1-4H3,(H,23,27)(H,25,26)/t11-,16+,17+/m0/s1 > ZMPRZZMCSIVQNO-YMRXKLBXSA-N > C20H27IN4O2 > 482.366 > 482.11787 > 3 > 54 > 45.35628605153108 > 1 > 4 > 0 > 0 > (5R,8R)-8-[(2S)-butan-2-yl]-5-[(6-iodo-1H-indol-3-yl)methyl]-2,2-dimethyl-1,3,6-triazocane-4,7-dione > 2.94 > 3.1663518673333337 > -4.39 > 0 > 3 > 0 > 11.584107762376497 > 10.952912170268954 > 5.745295414899775 > 86.02000000000001 > 114.65740000000002 > 4 > 1 > 1.96e-02 g/l > (5R,8R)-8-[(2S)-butan-2-yl]-5-[(6-iodo-1H-indol-3-yl)methyl]-2,2-dimethyl-1,3,6-triazocane-4,7-dione > 0 > NP0082023 > (+)-Hicksoane A $$$$