CDK 1030232202 54 57 0 0 0 0 0 0 0 0999 V2000 1.0142 1.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8314 1.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0777 2.3846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8541 0.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5662 3.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 1.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 0.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 3.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 3.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6679 -0.6368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8921 4.2656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0381 3.7440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2155 4.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1912 3.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3707 -1.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8618 3.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9575 4.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0602 -1.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1757 -1.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6262 3.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0423 4.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9957 -1.1585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0582 4.0909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2483 2.8463 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4352 5.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7418 -0.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6608 2.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8003 3.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6157 5.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6479 4.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2044 -1.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3332 -0.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8190 1.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4678 2.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5540 3.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0087 6.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0409 5.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7057 0.5049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9979 -0.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6437 1.3448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2213 6.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4930 0.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9071 -1.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5719 -2.0283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1516 -1.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4811 -2.8483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0609 -2.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7256 -3.1797 0.0000 C 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 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 24 28 2 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 26 31 1 0 0 0 0 27 32 3 0 0 0 0 29 33 1 0 0 0 0 29 34 1 0 0 0 0 30 35 2 0 0 0 0 30 36 1 0 0 0 0 31 37 2 0 0 0 0 31 38 1 0 0 0 0 33 39 1 0 0 0 0 33 40 1 0 0 0 0 34 41 1 0 0 0 0 35 42 1 0 0 0 0 36 43 2 0 0 0 0 38 44 1 0 0 0 0 38 45 1 0 0 0 0 39 46 2 0 0 0 0 42 47 2 0 0 0 0 44 48 1 0 0 0 0 45 49 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 50 52 1 0 0 0 0 51 53 2 0 0 0 0 52 54 2 0 0 0 0 39 44 1 0 0 0 0 40 41 1 0 0 0 0 43 47 1 0 0 0 0 53 54 1 0 0 0 0 M END > CHEBI:221876 > Guineamide G > 2 > 3,16-dibenzyl-4,9,9,17-tetramethyl-10-pent-4-ynyl-6-propan-2-yl-11-oxa-1,4,7,14,17-pentazabicyclo[17.3.0]docosane-2,5,8,12,15,18-hexone > C42H55N5O7 > 741.930 > 741.41015 > 0 > O=C1NC(C(=O)N(C(C(=O)N2C(C(=O)N(C(C(NCC(OC(C1(C)C)CCCC#C)=O)=O)CC3=CC=CC=C3)C)CCC2)CC4=CC=CC=C4)C)C(C)C > 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) > WQLPTPGNWCVEOG-UHFFFAOYSA-N $$$$