CDK 7/27/12,16:42 51 52 0 0 0 0 0 0 0 0999 V2000 -3.3039 -4.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5873 -5.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8747 -4.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 -5.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4493 -4.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2633 -5.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9761 -4.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6888 -5.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4014 -4.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1141 -5.0585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8268 -4.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5394 -5.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2521 -4.6556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9686 -5.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6813 -4.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3940 -5.0701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1066 -4.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8193 -5.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5321 -4.6672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2447 -5.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9574 -4.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6701 -5.0817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0204 -4.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2617 -5.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6871 -5.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -3.8229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1124 -5.8835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8285 -3.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5435 -3.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5377 -5.8873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9631 -5.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6830 -3.8345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3924 -5.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1083 -3.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8177 -5.8989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5337 -3.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2430 -5.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9564 -6.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9590 -3.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2550 -3.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9735 -3.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9756 -2.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2535 -2.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9530 -7.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6656 -7.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3817 -7.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3807 -6.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6677 -5.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0956 -7.5610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8101 -7.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9 26 2 0 0 0 0 6 7 1 0 0 0 0 10 27 1 0 0 0 0 13 14 1 0 0 0 0 11 28 1 1 0 0 0 3 4 1 0 0 0 0 28 29 1 0 0 0 0 14 15 1 0 0 0 0 12 30 2 0 0 0 0 7 8 1 0 0 0 0 14 31 1 6 0 0 0 15 16 1 0 0 0 0 15 32 2 0 0 0 0 16 33 1 0 0 0 0 16 17 1 0 0 0 0 17 34 1 1 0 0 0 8 9 1 0 0 0 0 18 35 2 0 0 0 0 17 18 1 0 0 0 0 19 36 1 0 0 0 0 4 5 1 0 0 0 0 20 37 1 6 0 0 0 18 19 1 0 0 0 0 37 38 1 0 0 0 0 9 10 1 0 0 0 0 21 39 2 0 0 0 0 19 20 1 0 0 0 0 29 40 2 0 0 0 0 2 3 1 0 0 0 0 40 41 1 0 0 0 0 20 21 1 0 0 0 0 41 42 2 0 0 0 0 10 11 1 0 0 0 0 42 43 1 0 0 0 0 21 22 1 0 0 0 0 43 44 2 0 0 0 0 44 29 1 0 0 0 0 5 6 1 0 0 0 0 38 45 2 0 0 0 0 1 23 3 0 0 0 0 45 46 1 0 0 0 0 11 12 1 0 0 0 0 46 47 2 0 0 0 0 6 24 1 0 0 0 0 47 48 1 0 0 0 0 1 2 1 0 0 0 0 48 49 2 0 0 0 0 49 38 1 0 0 0 0 8 25 1 0 0 0 0 47 50 1 0 0 0 0 12 13 1 0 0 0 0 50 51 1 0 0 0 0 M END > CHEBI:65582 > Carmabin A > A natural product found in Lyngbya majuscula and Lyngbya majuscula. > 2 > N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-N,2,4-trimethyldec-9-ynamide > C40H57N5O6 > 703.91050 > 703.43088 > 0 > COc1ccc(C[C@H](N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)C(C)CC(C)CCCCC#C)C(N)=O)cc1 > InChI=1S/C40H57N5O6/c1-10-11-12-14-17-27(2)24-28(3)38(48)45(8)35(26-31-18-15-13-16-19-31)37(47)42-29(4)39(49)43(6)30(5)40(50)44(7)34(36(41)46)25-32-20-22-33(51-9)23-21-32/h1,13,15-16,18-23,27-30,34-35H,11-12,14,17,24-26H2,2-9H3,(H2,41,46)(H,42,47)/t27?,28?,29-,30-,34-,35-/m0/s1 > BRWIYXLUWTZWGU-PBQPNXEGSA-N > 17441769; 9584405 $$$$