69679535 -OEChem-04242401052D 101 99 0 1 0 0 0 0 0999 V2000 18.0015 10.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3552 11.5066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 6.7390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0739 8.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6720 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2390 17.1681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5070 11.1681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5070 17.1681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0739 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.7040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 9.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 10.7040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4232 7.0455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3802 9.0674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9400 5.7390 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2390 15.1681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9400 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 9.7040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4232 8.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7339 9.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4770 8.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4770 7.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7124 9.8117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0068 7.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6109 8.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 7.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6109 6.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9400 6.7390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7449 8.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7449 7.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0230 10.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6720 6.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 8.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0739 7.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5070 15.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3730 15.6681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5070 14.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3730 13.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6409 13.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9400 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3730 16.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3730 12.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6409 12.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5070 12.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0739 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 9.2040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4030 8.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 9.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7133 10.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1200 9.6929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5198 9.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6268 7.8503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6158 6.4562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6109 9.4703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 6.6190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6109 6.2303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 6.4290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2080 8.6603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2080 7.0403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9869 9.1953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1876 8.4781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3620 6.2021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2090 6.4290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9820 7.2760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4260 8.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 8.8590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1860 8.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 5.4290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4769 5.4290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2949 15.7507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8964 15.0604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9099 15.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1941 11.5578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6710 7.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9099 13.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1040 13.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7759 15.4781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2390 14.5481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9099 12.3581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1040 12.3581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4260 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1860 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4769 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2090 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2390 17.7881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9700 10.8581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6710 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 8.8940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 7.6214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0135 8.3117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.3940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 10.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.0840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 9.5140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 1 76 1 0 0 0 0 2 32 2 0 0 0 0 3 35 1 0 0 0 0 3 77 1 0 0 0 0 4 35 2 0 0 0 0 41 5 1 1 0 0 0 5 91 1 0 0 0 0 6 43 1 0 0 0 0 6 92 1 0 0 0 0 7 46 1 0 0 0 0 7 93 1 0 0 0 0 8 43 2 0 0 0 0 9 48 1 0 0 0 0 9 94 1 0 0 0 0 10 48 2 0 0 0 0 11 50 1 0 0 0 0 11100 1 0 0 0 0 12 51 1 0 0 0 0 12101 1 0 0 0 0 13 51 2 0 0 0 0 14 23 1 0 0 0 0 14 25 1 0 0 0 0 14 56 1 0 0 0 0 24 15 1 1 0 0 0 15 63 1 0 0 0 0 15 64 1 0 0 0 0 29 16 1 6 0 0 0 16 71 1 0 0 0 0 16 72 1 0 0 0 0 37 17 1 1 0 0 0 17 82 1 0 0 0 0 17 83 1 0 0 0 0 42 18 1 6 0 0 0 18 89 1 0 0 0 0 18 90 1 0 0 0 0 49 19 1 6 0 0 0 19 98 1 0 0 0 0 19 99 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 25 2 0 0 0 0 21 24 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 26 2 0 0 0 0 23 28 2 0 0 0 0 24 32 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 26 30 1 0 0 0 0 26 57 1 0 0 0 0 27 29 1 0 0 0 0 27 33 1 0 0 0 0 27 34 1 0 0 0 0 27 58 1 0 0 0 0 28 31 1 0 0 0 0 28 59 1 0 0 0 0 29 35 1 0 0 0 0 29 60 1 0 0 0 0 30 31 2 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 37 43 1 0 0 0 0 37 75 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 39 44 1 0 0 0 0 39 78 1 0 0 0 0 40 45 2 0 0 0 0 40 79 1 0 0 0 0 41 42 1 0 0 0 0 41 47 1 0 0 0 0 41 80 1 0 0 0 0 42 48 1 0 0 0 0 42 81 1 0 0 0 0 44 46 2 0 0 0 0 44 84 1 0 0 0 0 45 46 1 0 0 0 0 45 85 1 0 0 0 0 47 86 1 0 0 0 0 47 87 1 0 0 0 0 47 88 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 95 1 0 0 0 0 50 96 1 0 0 0 0 50 97 1 0 0 0 0 M END > 69679535 > 1 > 677 > 18 > 14 > 12 > AAADcfB/vAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgAQCAAADTzhngY+zvLJkgCoAzT3TACCgCAxIiAI2aG+bJgKNvbCkZOEcAhl8BHI2AeY2fKOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > (2S,3R)-2-amino-3-hydroxy-butanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxy-propanoic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-methyl-butanoic acid > (2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid > (2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid > (2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid > (2S)-2-azanyl-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-azanyl-3-(1H-indol-3-yl)propanoic acid;(2S)-2-azanyl-3-methyl-butanoic acid;(2S,3R)-2-azanyl-3-oxidanyl-butanoic acid;(2S)-2-azanyl-3-oxidanyl-propanoic acid > (2S,3R)-2-amino-3-hydroxy-butyric acid;(2S)-2-amino-3-(4-hydroxyphenyl)propionic acid;(2S)-2-amino-3-hydroxy-propionic acid;(2S)-2-amino-3-(1H-indol-3-yl)propionic acid;(2S)-2-amino-3-methyl-butyric acid > InChI=1S/C11H12N2O2.C9H11NO3.C5H11NO2.C4H9NO3.C3H7NO3/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-3(2)4(6)5(7)8;1-2(6)3(5)4(7)8;4-2(1-5)3(6)7/h1-4,6,9,13H,5,12H2,(H,14,15);1-4,8,11H,5,10H2,(H,12,13);3-4H,6H2,1-2H3,(H,7,8);2-3,6H,5H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7)/t9-;8-;4-;2-,3+;2-/m00010/s1 > MGPREUYGQDJJHU-KERBNAPESA-N > 726.34358567 > C32H50N6O13 > 726.8 > CC(C)C(C(=O)O)N.CC(C(C(=O)O)N)O.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N.C1=CC(=CC=C1CC(C(=O)O)N)O.C(C(C(=O)O)N)O > C[C@H]([C@@H](C(=O)O)N)O.CC(C)[C@@H](C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N.C1=CC(=CC=C1C[C@@H](C(=O)O)N)O.C([C@@H](C(=O)O)N)O > 393 > 726.34358567 > 0 > 51 > 6 > 0 > 0 > 0 > 0 > 5 > -1 > 1 5 255 > 14 23 8 14 25 8 24 15 5 29 16 6 37 17 5 42 18 6 49 19 6 20 22 8 20 25 8 22 23 8 22 26 8 23 28 8 26 30 8 28 31 8 30 31 8 38 39 8 38 40 8 39 44 8 40 45 8 44 46 8 45 46 8 41 5 5 $$$$