70060018 -OEChem-05231304002D 118117 0 1 0 0 0 0 0999 V2000 12.4044 11.8574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7580 12.3955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0747 11.7480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 13.2480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7312 13.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9029 20.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9991 7.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9991 13.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3359 3.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1709 20.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4699 5.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6039 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8260 7.9345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7830 9.9564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 12.2480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 7.7480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7312 11.1880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9029 18.0659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7379 4.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8718 0.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8260 9.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1367 10.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8798 9.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8798 8.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1152 10.7007 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4766 10.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 10.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4096 8.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 9.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 11.7480 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0138 9.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0138 7.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 8.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1478 9.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1478 8.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4259 11.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 12.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9991 11.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8652 11.6880 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1709 18.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9991 10.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0369 18.5659 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6039 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6039 3.6200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1709 17.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7379 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8652 9.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1331 9.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0369 16.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3048 16.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8652 12.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8652 8.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1331 8.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0369 19.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9991 8.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4699 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7379 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0369 15.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3048 15.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1709 15.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1161 11.1141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5229 10.5818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9226 10.1113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2646 10.8306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 10.1403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5547 10.1654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9532 10.8556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0296 8.7392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6887 8.6654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 9.3556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0186 7.3451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 12.3680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0138 10.3592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0138 7.1192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3985 9.3306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.6403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6108 9.5492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6108 7.9292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3897 10.0842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5904 9.3670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9397 11.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 12.8680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0736 7.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1475 7.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5970 12.4467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 12.0580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7871 11.7706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3885 11.0803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4021 11.9980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9588 18.6485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5603 17.9583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5738 18.8759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8159 2.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2145 2.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6039 4.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5258 2.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1273 2.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4021 9.9980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5962 9.9980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5738 16.8759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7679 16.8759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2681 11.4980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7312 10.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4021 8.3780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5962 8.3780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4399 18.3759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9029 17.4459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2009 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7379 4.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5738 15.2559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7679 15.2559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1709 14.4459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7312 13.8080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8718 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3349 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9029 20.6859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4622 6.8780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8729 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 1 85 1 0 0 0 0 2 36 2 0 0 0 0 3 37 1 0 0 0 0 3 86 1 0 0 0 0 4 37 2 0 0 0 0 5 51 1 0 0 0 0 5113 1 0 0 0 0 6 54 1 0 0 0 0 6116 1 0 0 0 0 7 55 1 0 0 0 0 7117 1 0 0 0 0 8 51 2 0 0 0 0 9 56 1 0 0 0 0 9118 1 0 0 0 0 10 54 2 0 0 0 0 11 56 2 0 0 0 0 12 57 2 0 0 0 0 13 24 1 0 0 0 0 13 28 1 0 0 0 0 13 71 1 0 0 0 0 14 25 1 0 0 0 0 14 79 1 0 0 0 0 14 80 1 0 0 0 0 15 30 1 0 0 0 0 15 81 1 0 0 0 0 15 82 1 0 0 0 0 16 33 1 0 0 0 0 16 83 1 0 0 0 0 16 84 1 0 0 0 0 17 39 1 0 0 0 0 17102 1 0 0 0 0 17103 1 0 0 0 0 18 42 1 0 0 0 0 18106 1 0 0 0 0 18107 1 0 0 0 0 19 44 1 0 0 0 0 19108 1 0 0 0 0 19109 1 0 0 0 0 20 57 1 0 0 0 0 20114 1 0 0 0 0 20115 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 28 2 0 0 0 0 22 25 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 24 1 0 0 0 0 23 31 2 0 0 0 0 24 32 2 0 0 0 0 25 36 1 0 0 0 0 25 63 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 30 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 68 1 0 0 0 0 29 33 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 30 37 1 0 0 0 0 30 72 1 0 0 0 0 31 34 1 0 0 0 0 31 73 1 0 0 0 0 32 35 1 0 0 0 0 32 74 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 34 35 2 0 0 0 0 34 77 1 0 0 0 0 35 78 1 0 0 0 0 38 39 1 0 0 0 0 38 41 1 0 0 0 0 38 87 1 0 0 0 0 38 88 1 0 0 0 0 39 51 1 0 0 0 0 39 89 1 0 0 0 0 40 42 1 0 0 0 0 40 45 1 0 0 0 0 40 90 1 0 0 0 0 40 91 1 0 0 0 0 41 47 2 0 0 0 0 41 48 1 0 0 0 0 42 54 1 0 0 0 0 42 92 1 0 0 0 0 43 44 1 0 0 0 0 43 46 1 0 0 0 0 43 93 1 0 0 0 0 43 94 1 0 0 0 0 44 56 1 0 0 0 0 44 95 1 0 0 0 0 45 49 2 0 0 0 0 45 50 1 0 0 0 0 46 57 1 0 0 0 0 46 96 1 0 0 0 0 46 97 1 0 0 0 0 47 52 1 0 0 0 0 47 98 1 0 0 0 0 48 53 2 0 0 0 0 48 99 1 0 0 0 0 49 58 1 0 0 0 0 49100 1 0 0 0 0 50 59 2 0 0 0 0 50101 1 0 0 0 0 52 55 2 0 0 0 0 52104 1 0 0 0 0 53 55 1 0 0 0 0 53105 1 0 0 0 0 58 60 2 0 0 0 0 58110 1 0 0 0 0 59 60 1 0 0 0 0 59111 1 0 0 0 0 60112 1 0 0 0 0 M END > 70060018 > 1 > 825 > 18 > 14 > 18 > AAADcfB//AAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAQCAAADCzBngQ8zvLJkgCoAzX3XACCgCAxIiAI2aG+bJgKJvLCkZOEcAhk0BHI2Aec3/KOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > 2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-phenyl-propanoic acid;2,6-diaminohexanoic acid;2,5-diamino-5-oxo-pentanoic acid > 2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-phenylpropanoic acid;2,6-diaminohexanoic acid;2,5-diamino-5-oxopentanoic acid > 2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-phenylpropanoic acid;2,6-diaminohexanoic acid;2,5-diamino-5-oxopentanoic acid > 2-azanyl-3-(4-hydroxyphenyl)propanoic acid;2-azanyl-3-(1H-indol-3-yl)propanoic acid;2-azanyl-3-phenyl-propanoic acid;2,6-bis(azanyl)hexanoic acid;2,5-bis(azanyl)-5-oxidanylidene-pentanoic acid > 2-amino-3-(4-hydroxyphenyl)propionic acid;2-amino-3-(1H-indol-3-yl)propionic acid;2-amino-3-phenyl-propionic acid;2,6-diaminohexanoic acid;2,5-diamino-5-keto-valeric acid > InChI=1S/C11H12N2O2.C9H11NO3.C9H11NO2.C6H14N2O2.C5H10N2O3/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;10-8(9(11)12)6-7-4-2-1-3-5-7;7-4-2-1-3-5(8)6(9)10;6-3(5(9)10)1-2-4(7)8/h1-4,6,9,13H,5,12H2,(H,14,15);1-4,8,11H,5,10H2,(H,12,13);1-5,8H,6,10H2,(H,11,12);5H,1-4,7-8H2,(H,9,10);3H,1-2,6H2,(H2,7,8)(H,9,10) > KYKIZKKEAZMFMW-UHFFFAOYSA-N > 842.417419 > C40H58N8O12 > 842.93492 > C1=CC=C(C=C1)CC(C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N.C1=CC(=CC=C1CC(C(=O)O)N)O.C(CCN)CC(C(=O)O)N.C(CC(=O)N)C(C(=O)O)N > C1=CC=C(C=C1)CC(C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N.C1=CC(=CC=C1CC(C(=O)O)N)O.C(CCN)CC(C(=O)O)N.C(CC(=O)N)C(C(=O)O)N > 422 > 842.417419 > 0 > 60 > 0 > 5 > 0 > 0 > 0 > 5 > 6 > 1 5 255 > 13 24 8 13 28 8 25 14 3 30 15 3 39 17 3 42 18 3 44 19 3 21 23 8 21 28 8 23 24 8 23 31 8 24 32 8 31 34 8 32 35 8 34 35 8 41 47 8 41 48 8 45 49 8 45 50 8 47 52 8 48 53 8 49 58 8 50 59 8 52 55 8 53 55 8 58 60 8 59 60 8 $$$$