CDK 1030232203 77 80 0 0 0 0 0 0 0 0999 V2000 13.3166 3.6019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1371 3.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4727 2.7621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6220 4.1832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2931 2.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9877 2.0945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4425 4.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7781 3.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2427 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1627 2.0945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9274 4.7644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5752 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6778 2.7621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9078 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5752 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1231 1.0550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2897 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8608 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0041 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1462 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8608 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0904 0.8205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7579 -0.3355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4317 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1462 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5752 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8974 0.9920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9294 -1.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3099 0.2775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7173 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2329 1.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7140 -1.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1304 0.1913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0028 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0535 1.8319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2883 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8593 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8593 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5738 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2883 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7159 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8593 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2883 2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8593 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7159 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2883 3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8593 3.3001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 3.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0028 3.7126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0028 4.5376 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4303 3.3001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 4.5376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2883 4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7173 4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2883 5.7751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 4.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4317 4.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7173 5.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 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 0.0000 -0.4125 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 6 3 1 6 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 6 9 1 0 0 0 0 10 6 1 0 0 0 0 7 11 2 0 0 0 0 12 9 1 6 0 0 0 10 13 1 1 0 0 0 14 10 1 0 0 0 0 15 12 1 0 0 0 0 14 16 1 1 0 0 0 15 17 1 1 0 0 0 18 15 1 0 0 0 0 19 17 1 6 0 0 0 18 20 1 1 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 23 19 1 0 0 0 0 20 24 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 27 22 1 0 0 0 0 23 28 1 1 0 0 0 29 23 1 0 0 0 0 24 30 1 0 0 0 0 27 31 1 6 0 0 0 28 32 1 0 0 0 0 29 33 1 1 0 0 0 30 34 1 0 0 0 0 31 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 39 37 1 0 0 0 0 39 40 1 6 0 0 0 41 39 1 0 0 0 0 40 42 1 0 0 0 0 41 43 1 6 0 0 0 41 44 1 0 0 0 0 42 45 2 0 0 0 0 46 42 1 0 0 0 0 43 47 1 0 0 0 0 44 48 1 0 0 0 0 44 49 1 0 0 0 0 46 50 1 6 0 0 0 51 46 1 0 0 0 0 47 52 2 0 0 0 0 47 53 1 0 0 0 0 50 54 1 0 0 0 0 51 55 1 6 0 0 0 51 56 1 0 0 0 0 53 57 1 0 0 0 0 54 58 2 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 63 59 1 6 0 0 0 60 64 2 0 0 0 0 60 65 1 0 0 0 0 62 66 1 0 0 0 0 63 67 1 0 0 0 0 63 68 1 0 0 0 0 66 69 1 0 0 0 0 67 70 2 0 0 0 0 67 71 1 0 0 0 0 68 72 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 77 1 0 0 0 0 7 8 1 0 0 0 0 12 14 1 0 0 0 0 27 29 1 0 0 0 0 61 64 1 0 0 0 0 M END > CHEBI:225050 > Muraymycin B2 > 2 > (2S)-2-[[(1S)-2-[[(2S,3S)-1-[3-[[(1S,2S)-2-[(2S,3R,4R,5R)-5-(aminomethyl)-4-hydroxy-3-methoxyoxolan-2-yl]oxy-1-carboxy-2-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]amino]propylamino]-4-methyl-3-(8-methylnonanoyloxy)-1-oxopentan-2-yl]amino]-1-[(6S)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid > C48H81N11O18 > 1100.235 > 1099.57610 > 0 > O=C1N(C=CC(N1)=O)[C@@H]2O[C@H]([C@@H](O[C@@H]3O[C@H](CN)[C@H]([C@H]3OC)O)[C@H](NCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)C(C)C)[C@H]4NC(=NCC4)N)[C@@H](OC(=O)CCCCCCC(C)C)C(C)C)C(=O)O)[C@H]([C@H]2O)O > InChI=1S/C48H81N11O18/c1-22(2)13-10-8-9-11-14-28(61)75-36(24(5)6)31(56-41(66)30(25-15-19-53-46(50)54-25)58-47(71)57-29(23(3)4)43(67)68)40(65)52-18-12-17-51-32(44(69)70)37(77-45-39(73-7)33(62)26(21-49)74-45)38-34(63)35(64)42(76-38)59-20-16-27(60)55-48(59)72/h16,20,22-26,29-39,42,45,51,62-64H,8-15,17-19,21,49H2,1-7H3,(H,52,65)(H,56,66)(H,67,68)(H,69,70)(H3,50,53,54)(H,55,60,72)(H2,57,58,71)/t25-,26+,29-,30-,31-,32-,33+,34-,35+,36-,37-,38-,39+,42+,45-/m0/s1 > BLAVBWWNNRSHJN-UVJWUOELSA-N $$$$