Marvin 12061213182D 47 47 0 0 0 0 999 V2000 -2.4221 -15.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7091 -16.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9959 -15.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -16.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4302 -15.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1433 -16.1181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8563 -15.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5694 -16.1219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2826 -15.7149 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9955 -16.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7087 -15.7188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4217 -16.1297 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1387 -15.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8519 -16.1335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5648 -15.7266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2780 -16.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9911 -15.7305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7041 -16.1413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4172 -15.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1303 -16.1451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1416 -16.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 -14.8817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5677 -16.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2842 -14.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9996 -14.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9938 -16.9512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4201 -16.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1404 -14.8972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8502 -16.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5665 -14.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2763 -16.9628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9927 -14.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7025 -16.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4163 -17.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4189 -14.9089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4128 -18.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1259 -18.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8423 -18.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8414 -17.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1279 -16.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1430 -15.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5703 -14.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7046 -17.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1339 -17.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2821 -14.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8528 -14.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7104 -14.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24 25 1 0 0 0 0 12 13 1 0 0 0 0 10 26 2 0 0 0 0 6 7 1 0 0 0 0 12 27 1 6 0 0 0 13 14 1 0 0 0 0 13 28 2 0 0 0 0 3 4 1 0 0 0 0 14 29 1 0 0 0 0 14 15 1 0 0 0 0 15 30 1 1 0 0 0 7 8 1 0 0 0 0 16 31 2 0 0 0 0 15 16 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 6 0 0 0 16 17 1 0 0 0 0 33 34 1 0 0 0 0 8 9 1 0 0 0 0 19 35 2 0 0 0 0 17 18 1 0 0 0 0 34 36 2 0 0 0 0 4 5 1 0 0 0 0 36 37 1 0 0 0 0 18 19 1 0 0 0 0 37 38 2 0 0 0 0 9 10 1 0 0 0 0 38 39 1 0 0 0 0 19 20 1 0 0 0 0 39 40 2 0 0 0 0 40 34 1 0 0 0 0 2 3 1 0 0 0 0 6 21 1 1 0 0 0 10 11 1 0 0 0 0 1 41 3 0 0 0 0 7 22 2 0 0 0 0 24 42 1 0 0 0 0 5 6 1 0 0 0 0 27 43 1 0 0 0 0 8 23 1 0 0 0 0 27 44 1 0 0 0 0 11 12 1 0 0 0 0 30 45 1 0 0 0 0 9 24 1 1 0 0 0 30 46 1 0 0 0 0 1 2 1 0 0 0 0 11 47 1 0 0 0 0 M END > CHEBI:65584 > dragonamide A > A lipopeptide consisting of a 2-methyloct-7-ynoyl moiety attached to a linear tetrapeptide comprising of N-methyl-L-phenylalanyl and N-methyl-L-valine units. It is isolated from a Panamanian strain of the marine cyanobacterium Lyngbya majuscula and displays antimalarial activity. > 3 > N-methyl-N-[(2S)-2-methyloct-7-ynoyl]-L-valyl-N-methyl-L-valyl-N-methyl-L-valyl-Nalpha-methyl-L-phenylalaninamide > C37H59N5O5 > 653.89490 > 653.45162 > 0 > CC(C)[C@H](N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](C)CCCCC#C)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O > InChI=1S/C37H59N5O5/c1-13-14-15-17-20-27(8)34(44)40(10)31(25(4)5)36(46)42(12)32(26(6)7)37(47)41(11)30(24(2)3)35(45)39(9)29(33(38)43)23-28-21-18-16-19-22-28/h1,16,18-19,21-22,24-27,29-32H,14-15,17,20,23H2,2-12H3,(H2,38,43)/t27-,29-,30-,31-,32-/m0/s1 > LFBMRFDBJDFLTN-QDNWXXHKSA-N > 10226310 > 17441769 $$$$