45107865 -OEChem-05102421202D 72 74 0 1 0 0 0 0 0999 V2000 5.3407 2.3561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4439 0.5960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7716 2.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6140 0.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6140 6.1872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1507 12.7491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4614 13.6996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8616 11.5924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6825 17.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0397 16.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5316 3.9438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3407 4.5316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0316 5.4827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8150 14.2377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 10.5210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2127 7.2052 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7255 17.2955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0316 1.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7226 2.3561 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0316 1.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5316 2.9438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6194 0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 4.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0316 5.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5259 13.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5044 13.2872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2152 12.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 11.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 10.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6194 6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 11.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 15.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0827 15.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7935 14.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 12.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1722 12.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3934 16.5512 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5369 11.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 10.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3719 16.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4193 1.5020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6256 2.9684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6440 1.5020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 3.2253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0622 0.3242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7903 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 0.0296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3108 2.2502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 4.3400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9784 0.1989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5053 13.7006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 13.1683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1110 13.4151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4188 11.3257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4010 14.6992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4078 9.9317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0836 16.0141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4904 15.4818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1033 14.9810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6965 15.5133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 12.9457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 9.7057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7867 16.4233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 12.1357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.5157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5771 7.7068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 7.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9181 17.8848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1189 17.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5648 12.2877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2892 17.8358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 18 2 1 1 0 0 0 2 48 1 0 0 0 0 19 3 1 1 0 0 0 3 49 1 0 0 0 0 4 22 1 0 0 0 0 4 51 1 0 0 0 0 5 30 2 0 0 0 0 6 36 1 0 0 0 0 6 71 1 0 0 0 0 7 34 2 0 0 0 0 8 36 2 0 0 0 0 9 41 1 0 0 0 0 9 72 1 0 0 0 0 10 41 2 0 0 0 0 11 12 1 0 0 0 0 21 11 1 6 0 0 0 11 23 1 0 0 0 0 12 24 2 0 0 0 0 13 23 2 0 0 0 0 13 24 1 0 0 0 0 26 14 1 6 0 0 0 14 34 1 0 0 0 0 14 56 1 0 0 0 0 15 29 1 0 0 0 0 15 31 1 0 0 0 0 15 57 1 0 0 0 0 16 30 1 0 0 0 0 16 67 1 0 0 0 0 16 68 1 0 0 0 0 38 17 1 1 0 0 0 17 69 1 0 0 0 0 17 70 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 42 1 0 0 0 0 19 21 1 0 0 0 0 19 43 1 0 0 0 0 20 22 1 6 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 50 1 0 0 0 0 24 30 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 36 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 31 2 0 0 0 0 28 29 1 0 0 0 0 28 35 2 0 0 0 0 29 37 2 0 0 0 0 31 55 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 33 38 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 35 39 1 0 0 0 0 35 62 1 0 0 0 0 37 40 1 0 0 0 0 37 63 1 0 0 0 0 38 41 1 0 0 0 0 38 64 1 0 0 0 0 39 40 2 0 0 0 0 39 65 1 0 0 0 0 40 66 1 0 0 0 0 M END > 45107865 > 1 > 788 > 13 > 9 > 11 > AAADceB7vAAAAAAAAAAAAAAAAAAAAWLEgAAwAAAAAAAAAFgB/AAAHgAYCAAADDzhnwY92PbJlgCqAzf3fACSgCszgqAd2aG4ZJiLePLAmbGeYAhvngLbyAf8//KOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (2R)-2-amino-5-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxo-pentanoic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,2,4-triazole-3-carboxamide > (2R)-2-amino-5-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,2,4-triazole-3-carboxamide > (2R)-2-amino-5-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide > (2R)-2-amino-5-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide > (2R)-2-azanyl-5-[[(2S)-3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid;1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide > (2R)-2-amino-5-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-keto-valeric acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-1,2,4-triazole-3-carboxamide > InChI=1S/C16H19N3O5.C8H12N4O5/c17-11(15(21)22)5-6-14(20)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12;9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h1-4,8,11,13,18H,5-7,17H2,(H,19,20)(H,21,22)(H,23,24);2-5,8,13-15H,1H2,(H2,9,16)/t11-,13+;3-,4-,5-,8-/m11/s1 > NGWPFFNCLNFDFD-HCZWRECFSA-N > 577.21324021 > C24H31N7O10 > 577.5 > C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CCC(C(=O)O)N.C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N > C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)O)N.C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N > 289 > 577.21324021 > 0 > 41 > 6 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 11 12 8 21 11 6 11 23 8 12 24 8 13 23 8 13 24 8 26 14 6 15 29 8 15 31 8 38 17 5 18 2 5 20 22 6 27 28 8 27 31 8 28 29 8 28 35 8 29 37 8 19 3 5 35 39 8 37 40 8 39 40 8 $$$$