444412 -OEChem-05142408202D 58 60 0 1 0 0 0 0 0999 V2000 4.2690 -0.2598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1196 1.2810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5875 0.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7273 -1.2089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5759 3.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8439 3.2877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 -1.2251 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0290 -3.2944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 -1.7323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.2598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9914 -0.2156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.2598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -1.7390 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9350 -2.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7991 -1.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0174 -0.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5312 -1.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 -1.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5273 -0.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8555 0.2877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2593 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8516 1.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 -1.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3914 0.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1234 0.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7157 1.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7234 -0.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7118 2.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9314 -1.1190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 -3.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5459 -2.6745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1958 -0.7591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3988 -0.7622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 -3.9144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6374 -0.2180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0102 0.3948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3974 -0.2323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6694 -2.3523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.8798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4015 -2.3456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9892 0.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8579 -0.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6373 1.8695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2414 1.1777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8013 -1.5302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3890 0.8944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9938 -0.8356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.8798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9300 1.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3259 1.9011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1256 -0.0135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5735 3.9144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 30 2 0 0 0 0 3 32 1 0 0 0 0 3 57 1 0 0 0 0 4 32 2 0 0 0 0 5 33 1 0 0 0 0 5 58 1 0 0 0 0 6 33 2 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 7 19 1 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 8 39 1 0 0 0 0 9 16 1 0 0 0 0 9 21 1 0 0 0 0 9 43 1 0 0 0 0 10 18 1 0 0 0 0 10 22 1 0 0 0 0 10 44 1 0 0 0 0 11 20 1 0 0 0 0 11 22 2 0 0 0 0 25 12 1 1 0 0 0 12 30 1 0 0 0 0 12 52 1 0 0 0 0 13 22 1 0 0 0 0 13 53 1 0 0 0 0 13 54 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 1 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 23 28 1 0 0 0 0 23 45 1 0 0 0 0 24 29 2 0 0 0 0 24 46 1 0 0 0 0 25 27 1 0 0 0 0 25 32 1 0 0 0 0 25 47 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 31 33 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 M END > 444412 > 1 > 865 > 9 > 7 > 9 > AAADceB7uAAAAAAAAAAAAAAAAAAAAAAAAAAwQIAAAAAAAACBAAAAHgAQCAAADCjBmAQzyIPAAgCoAiXSfACCAAElAgAJiIGIZMiKYDLA1bGUYQhslgLYyce8rwCeCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA== > (2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid > (2S)-2-[[[4-[[(6S)-2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid > (2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid > (2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid > (2S)-2-[[4-[[(6S)-2-azanyl-5-methyl-4-oxidanylidene-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid > (2S)-2-[[4-[[(6S)-2-amino-4-keto-5-methyl-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]glutaric acid > InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1 > ZNOVTXRBGFNYRX-STQMWFEESA-N > -0.5 > 459.18663154 > C20H25N7O6 > 459.5 > CN1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O > CN1[C@H](CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O > 199 > 459.18663154 > 0 > 33 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 18 8 10 22 8 11 20 8 11 22 8 25 12 5 14 16 5 17 18 8 17 20 8 21 23 8 21 24 8 23 28 8 24 29 8 26 28 8 26 29 8 $$$$