CDK 9/10/12,15:49 54 57 0 0 0 0 0 0 0 0999 V2000 6.8791 -5.8528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 -5.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9664 -5.3627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7946 -7.0317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1876 -6.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1609 -5.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5890 -5.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6453 -6.6768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7326 -7.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5467 -8.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7523 -5.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4510 -5.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7903 -7.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9918 -8.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4608 -8.8781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7763 -8.8570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4552 -8.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2594 -8.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1777 -10.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3538 -10.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 -6.6768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0115 -6.2838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1609 -4.6190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5890 -4.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0228 -6.6768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5002 -8.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4087 -7.4753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9819 -9.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2425 -7.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7326 -5.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9580 -4.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8791 -6.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0805 -6.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8285 -7.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1284 -8.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1721 -4.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2143 -7.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2340 -4.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2355 -9.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0017 -10.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7396 -4.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0228 -5.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7326 -4.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9707 -4.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9242 -8.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2186 -7.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9482 -3.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4116 -9.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9284 -6.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5270 -2.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5538 -3.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6425 -7.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3340 -2.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6467 -7.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 11 5 1 1 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 12 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 3 1 0 0 0 0 12 6 1 0 0 0 0 13 4 1 0 0 0 0 14 13 1 0 0 0 0 15 17 1 0 0 0 0 16 14 1 0 0 0 0 17 10 1 0 0 0 0 18 15 1 0 0 0 0 19 40 1 0 0 0 0 20 19 3 0 0 0 0 21 2 2 0 0 0 0 22 5 2 0 0 0 0 23 6 2 0 0 0 0 7 24 1 1 0 0 0 25 9 2 0 0 0 0 13 26 1 1 0 0 0 27 14 2 0 0 0 0 28 18 1 0 0 0 0 29 18 2 0 0 0 0 12 30 1 1 0 0 0 31 3 1 0 0 0 0 32 1 1 0 0 0 0 33 4 1 0 0 0 0 34 10 1 0 0 0 0 35 10 1 0 0 0 0 36 24 1 0 0 0 0 37 26 1 0 0 0 0 38 11 1 0 0 0 0 17 39 1 1 0 0 0 40 48 1 0 0 0 0 41 31 1 0 0 0 0 42 30 1 0 0 0 0 43 30 1 0 0 0 0 44 36 2 0 0 0 0 45 37 2 0 0 0 0 46 37 1 0 0 0 0 47 36 1 0 0 0 0 48 39 1 0 0 0 0 49 46 2 0 0 0 0 50 47 2 0 0 0 0 51 44 1 0 0 0 0 52 45 1 0 0 0 0 53 50 1 0 0 0 0 54 49 1 0 0 0 0 41 38 1 0 0 0 0 53 51 2 0 0 0 0 28 16 1 0 0 0 0 54 52 2 0 0 0 0 M END > CHEBI:67317 > cocosamide B > A natural product found in Lyngbya majuscula. > 2 > C42H55N5O7 > 741.91540 > 741.41015 > 0 > CC(C)[C@@H]1NC(=O)C(C)(C)[C@H](CCCC#C)OC(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C1=O > InChI=1S/C42H55N5O7/c1-8-9-12-23-34-42(4,5)41(53)44-36(28(2)3)40(52)46(7)33(26-30-20-15-11-16-21-30)39(51)47-24-17-22-31(47)38(50)45(6)32(25-29-18-13-10-14-19-29)37(49)43-27-35(48)54-34/h1,10-11,13-16,18-21,28,31-34,36H,9,12,17,22-27H2,2-7H3,(H,43,49)(H,44,53)/t31-,32-,33-,34-,36-/m0/s1 > WQLPTPGNWCVEOG-NRYNYGQJSA-N > 21341718 $$$$