5287707 -OEChem-05072416402D 89 91 0 1 0 0 0 0 0999 V2000 7.7331 -1.6331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.6331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.1331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.6331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5868 -0.2189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -7.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0918 -7.3579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 2.9377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6914 7.2497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2419 4.8002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9843 7.9568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2598 -0.6672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.1331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -5.1331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1044 1.7129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9150 4.3519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7596 6.7320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.6331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -6.1331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -6.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.6331 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 -2.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -6.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5527 0.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2258 -0.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6990 -3.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8116 1.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -6.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6562 3.3860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1259 -7.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 6.0249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3633 2.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2079 5.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4326 6.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6902 3.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7936 6.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0184 7.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3113 8.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5626 -1.1947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4659 -6.2936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -7.1081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -7.1081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1715 -3.1947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.4431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.4431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -4.8231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.8231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3862 -1.0073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8246 -0.2479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0653 0.1905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5386 -4.4908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2979 -4.0524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8595 -3.2931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -7.2531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3735 0.7438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1672 1.5137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.4431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2550 3.5464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6271 6.6238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5056 1.5525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5138 4.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4866 5.6661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0502 6.2297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 3.7260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0914 2.9667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8507 2.5283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.9431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6332 7.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1948 6.3127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9541 5.8743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -8.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7497 8.8434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8729 8.8434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8729 7.9666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2903 7.4101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 2 0 0 0 0 2 32 1 0 0 0 0 2 80 1 0 0 0 0 3 30 2 0 0 0 0 4 35 1 0 0 0 0 4 81 1 0 0 0 0 5 31 2 0 0 0 0 6 41 1 0 0 0 0 6 85 1 0 0 0 0 7 41 2 0 0 0 0 8 43 2 0 0 0 0 9 45 1 0 0 0 0 9 89 1 0 0 0 0 10 44 2 0 0 0 0 11 48 2 0 0 0 0 18 12 1 6 0 0 0 12 31 1 0 0 0 0 12 33 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 13 56 1 0 0 0 0 14 20 1 0 0 0 0 14 30 1 0 0 0 0 14 59 1 0 0 0 0 15 38 1 0 0 0 0 15 43 1 0 0 0 0 15 73 1 0 0 0 0 40 16 1 1 0 0 0 16 44 1 0 0 0 0 16 74 1 0 0 0 0 42 17 1 6 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 50 1 0 0 0 0 19 25 2 0 0 0 0 19 28 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 6 0 0 0 20 51 1 0 0 0 0 21 26 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 30 1 0 0 0 0 22 36 1 1 0 0 0 22 54 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 24 32 2 0 0 0 0 25 55 1 0 0 0 0 26 29 2 0 0 0 0 26 37 1 0 0 0 0 27 29 1 0 0 0 0 27 35 2 0 0 0 0 28 34 2 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 31 38 1 0 0 0 0 32 34 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 35 39 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 37 39 2 0 0 0 0 37 67 1 0 0 0 0 38 68 1 0 0 0 0 38 69 1 0 0 0 0 39 70 1 0 0 0 0 40 43 1 0 0 0 0 40 46 1 0 0 0 0 40 71 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 42 72 1 0 0 0 0 45 75 1 0 0 0 0 45 76 1 0 0 0 0 46 77 1 0 0 0 0 46 78 1 0 0 0 0 46 79 1 0 0 0 0 47 82 1 0 0 0 0 47 83 1 0 0 0 0 47 84 1 0 0 0 0 48 49 1 0 0 0 0 49 86 1 0 0 0 0 49 87 1 0 0 0 0 49 88 1 0 0 0 0 M END > 5287707 > 1 > 1270 > 11 > 8 > 9 > AAADcfB/vAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQCAAADCzhmAYyDoPAAgCIAiHSGACCAAAgIAAIiIGODIgKdjaClTOUcAhm9hGYmAfY2POOoAACAAAIAABAAAQAABAAAAAAAAAAAA== > (8S,11S,14S)-14-[[2-[[(2R)-2-[[(2R)-2-[acetyl(methyl)amino]-3-hydroxy-propanoyl]amino]propanoyl]amino]acetyl]-methyl-amino]-3,18-dihydroxy-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid > (8S,11S,14S)-14-[[2-[[(2R)-2-[[(2R)-2-[acetyl(methyl)amino]-3-hydroxy-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.12,6]eicosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid > (8S,11S,14S)-14-[[2-[[(2R)-2-[[(2R)-2-[acetyl(methyl)amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid > (8S,11S,14S)-14-[[2-[[(2R)-2-[[(2R)-2-[acetyl(methyl)amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid > (8S,11S,14S)-14-[2-[[(2R)-2-[[(2R)-2-[ethanoyl(methyl)amino]-3-oxidanyl-propanoyl]amino]propanoyl]amino]ethanoyl-methyl-amino]-11-methyl-3,18-bis(oxidanyl)-10,13-bis(oxidanylidene)-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid > (8S,11S,14S)-14-[[2-[[(2R)-2-[[(2R)-2-[acetyl(methyl)amino]-3-hydroxy-propanoyl]amino]propanoyl]amino]acetyl]-methyl-amino]-3,18-dihydroxy-10,13-diketo-11-methyl-9,12-diazatricyclo[13.3.1.12,6]eicosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid > InChI=1S/C32H40N6O11/c1-15(34-30(46)23(14-39)37(4)17(3)40)28(44)33-13-26(43)38(5)27-19-7-9-25(42)21(12-19)20-10-18(6-8-24(20)41)11-22(32(48)49)36-29(45)16(2)35-31(27)47/h6-10,12,15-16,22-23,27,39,41-42H,11,13-14H2,1-5H3,(H,33,44)(H,34,46)(H,35,47)(H,36,45)(H,48,49)/t15-,16+,22+,23-,27+/m1/s1 > TUPFYYWHWXBPLS-YGBZZOJMSA-N > -0.9 > 684.27550611 > C32H40N6O11 > 684.7 > CC1C(=O)NC(CC2=CC(=C(C=C2)O)C3=C(C=CC(=C3)C(C(=O)N1)N(C)C(=O)CNC(=O)C(C)NC(=O)C(CO)N(C)C(=O)C)O)C(=O)O > C[C@H]1C(=O)N[C@@H](CC2=CC(=C(C=C2)O)C3=C(C=CC(=C3)[C@@H](C(=O)N1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](CO)N(C)C(=O)C)O)C(=O)O > 255 > 684.27550611 > 0 > 49 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 18 12 6 40 16 5 42 17 6 19 25 8 19 28 8 20 41 6 22 36 5 24 25 8 24 32 8 26 29 8 26 37 8 27 29 8 27 35 8 28 34 8 32 34 8 35 39 8 37 39 8 $$$$