CDK 1018121543 85 87 0 0 0 0 0 0 0 0999 V2000 4.8395 -23.8583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5539 -23.4458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1250 -23.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2684 -23.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5539 -22.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2684 -24.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9829 -23.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9829 -25.0958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9829 -25.9208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6974 -24.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2684 -26.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6974 -26.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5539 -25.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2684 -27.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 -26.3333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1250 -25.9208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1250 -25.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4105 -26.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 -27.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 -22.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 -21.3833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1250 -22.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5539 -20.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -20.9708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2684 -21.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9829 -20.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6974 -21.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4118 -20.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1263 -21.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4118 -20.1458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -20.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4105 -19.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 -19.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4155 -18.9073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7019 -18.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9864 -18.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9891 -19.7367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7033 -20.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1313 -18.4971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7023 -17.6698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4105 -27.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6961 -27.5708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1250 -27.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9816 -27.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6961 -28.3958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2671 -27.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5526 -27.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1548 -27.5708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8711 -27.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5838 -27.5769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8746 -26.3364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9816 -28.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9816 -29.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2671 -28.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2636 -30.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2632 -30.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9782 -31.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6951 -30.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6919 -30.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5505 -29.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5486 -31.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4118 -25.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1263 -26.3333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4118 -25.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8408 -25.9208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5552 -26.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2697 -25.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5552 -27.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9843 -26.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6983 -25.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6987 -25.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9792 -24.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2682 -25.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5525 -24.6890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9763 -23.8603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1263 -27.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8408 -27.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8408 -28.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5552 -28.8083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5552 -29.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2697 -30.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8408 -30.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 -24.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4105 -24.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3333 -24.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 11 1 0 0 0 0 41 43 2 0 0 0 0 20 22 2 0 0 0 0 42 44 1 1 0 0 0 4 6 1 0 0 0 0 42 45 1 0 0 0 0 21 23 1 1 0 0 0 44 46 1 0 0 0 0 9 12 1 6 0 0 0 46 47 1 0 0 0 0 21 24 1 0 0 0 0 47 48 1 0 0 0 0 1 2 1 0 0 0 0 48 49 1 0 0 0 0 23 25 1 0 0 0 0 49 50 1 0 0 0 0 11 13 1 0 0 0 0 49 51 2 0 0 0 0 25 26 1 0 0 0 0 45 52 1 0 0 0 0 4 7 2 0 0 0 0 52 53 1 0 0 0 0 26 27 1 0 0 0 0 52 54 2 0 0 0 0 11 14 2 0 0 0 0 53 55 2 0 0 0 0 27 28 1 0 0 0 0 55 56 1 0 0 0 0 2 4 1 0 0 0 0 56 57 2 0 0 0 0 28 29 1 0 0 0 0 57 58 1 0 0 0 0 13 15 1 0 0 0 0 58 59 2 0 0 0 0 59 53 1 0 0 0 0 28 30 2 0 0 0 0 55 60 1 0 0 0 0 6 8 1 0 0 0 0 56 61 1 0 0 0 0 24 31 1 0 0 0 0 12 62 1 0 0 0 0 15 16 1 0 0 0 0 62 63 1 0 0 0 0 31 32 1 0 0 0 0 62 64 2 0 0 0 0 63 65 1 0 0 0 0 31 33 2 0 0 0 0 65 66 1 0 0 0 0 16 17 1 0 0 0 0 66 67 1 0 0 0 0 32 34 2 0 0 0 0 66 68 2 0 0 0 0 8 9 1 0 0 0 0 67 69 2 0 0 0 0 34 35 1 0 0 0 0 69 70 1 0 0 0 0 16 18 1 6 0 0 0 70 71 2 0 0 0 0 35 36 2 0 0 0 0 71 72 1 0 0 0 0 2 5 1 6 0 0 0 72 73 2 0 0 0 0 73 67 1 0 0 0 0 36 37 1 0 0 0 0 73 74 1 0 0 0 0 15 19 1 6 0 0 0 72 75 1 0 0 0 0 37 38 2 0 0 0 0 63 76 1 1 0 0 0 38 32 1 0 0 0 0 76 77 1 0 0 0 0 8 10 1 6 0 0 0 77 78 1 0 0 0 0 34 39 1 0 0 0 0 78 79 1 0 0 0 0 5 20 1 0 0 0 0 79 80 1 0 0 0 0 35 40 1 0 0 0 0 80 81 2 0 0 0 0 1 3 1 6 0 0 0 80 82 1 0 0 0 0 18 41 1 0 0 0 0 1 83 1 0 0 0 0 20 21 1 0 0 0 0 17 84 1 0 0 0 0 41 42 1 0 0 0 0 17 85 2 0 0 0 0 M END > CHEBI:68887 > Tribenarthin > A natural product found in Streptomyces speciesYM5-799. > 2 > N2-(2,3-Dihydroxybenzoyl)-L-arginyl-O-[(2S,3R)-2-{[N2-(2,3-dihydroxybenzoyl)-L-arginyl]amino}-3-{[N2-(2,3-dihydroxybenzoyl)-L-arginyl-L-threonyl]oxy}butanoyl]-L-threonine > C51H71N15O19 > 1198.19850 > 1197.50507 > 0 > C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1cccc(O)c1O)C(=O)O[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1cccc(O)c1O)C(=O)O[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1cccc(O)c1O)C(O)=O > InChI=1S/C51H71N15O19/c1-22(67)34(64-43(77)28(13-7-19-58-49(52)53)61-40(74)25-10-4-16-31(68)37(25)71)47(82)85-24(3)36(66-45(79)30(15-9-21-60-51(56)57)63-42(76)27-12-6-18-33(70)39(27)73)48(83)84-23(2)35(46(80)81)65-44(78)29(14-8-20-59-50(54)55)62-41(75)26-11-5-17-32(69)38(26)72/h4-6,10-12,16-18,22-24,28-30,34-36,67-73H,7-9,13-15,19-21H2,1-3H3,(H,61,74)(H,62,75)(H,63,76)(H,64,77)(H,65,78)(H,66,79)(H,80,81)(H4,52,53,58)(H4,54,55,59)(H4,56,57,60)/t22-,23-,24-,28+,29+,30+,34+,35+,36+/m1/s1 > FEXALOAZGPYIER-XKCQZYHGSA-N > 22014204 $$$$