70580485 -OEChem-05112414442D 76 74 0 1 0 0 0 0 0999 V2000 9.6730 6.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 12.6430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 4.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 5.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 2.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 11.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 12.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 13.6430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.8340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 5.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 12.6430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.8340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 4.1200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0749 12.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 7.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0390 7.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0390 6.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 11.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5749 13.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5749 11.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 12.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 12.1430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9409 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 11.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 12.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3439 4.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7289 4.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3304 3.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7150 7.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9420 7.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0950 8.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5759 8.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7290 8.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5021 7.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5021 5.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3490 5.7170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5759 6.5640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8989 12.1799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 11.3330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5189 11.1060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1118 13.3190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2649 13.5459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0380 12.6990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0380 10.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8849 10.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1118 11.5869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3439 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3439 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 12.7630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 13.2630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9190 11.1430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 10.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1590 11.1430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0759 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8080 12.4530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 7.8090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 7.8090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 7.1440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.2140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.0240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 25 1 0 0 0 0 2 16 1 0 0 0 0 2 29 1 0 0 0 0 3 26 1 0 0 0 0 3 70 1 0 0 0 0 4 25 2 0 0 0 0 5 26 2 0 0 0 0 6 29 2 0 0 0 0 7 35 1 0 0 0 0 7 71 1 0 0 0 0 8 35 2 0 0 0 0 9 37 1 0 0 0 0 9 76 1 0 0 0 0 10 37 2 0 0 0 0 15 11 1 6 0 0 0 11 25 1 0 0 0 0 11 50 1 0 0 0 0 12 29 1 0 0 0 0 32 12 1 1 0 0 0 12 65 1 0 0 0 0 13 36 1 0 0 0 0 13 74 1 0 0 0 0 13 75 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 15 38 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 17 21 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 27 2 0 0 0 0 21 28 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 27 30 1 0 0 0 0 27 60 1 0 0 0 0 28 31 2 0 0 0 0 28 61 1 0 0 0 0 30 33 2 0 0 0 0 30 62 1 0 0 0 0 31 33 1 0 0 0 0 31 63 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 32 64 1 0 0 0 0 33 66 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 36 37 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 M END > 70580485 > 1 > 566 > 11 > 6 > 11 > AAADcfB7PAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADGzBmAQyCILABgCIAiDSGAACAAAgAAAIiIGIAIkKIDKAkTGMYAAklgAYiAeYyKCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-aminoacetic acid;(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoic acid;(2R)-2-(tert-butoxycarbonylamino)propanoic acid > 2-aminoacetic acid;(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid;(2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid > 2-aminoacetic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid > 2-aminoacetic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid > 2-azanylethanoic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoic acid;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid > 2-aminoacetic acid;(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid;(2R)-2-(tert-butoxycarbonylamino)propionic acid > InChI=1S/C14H19NO4.C8H15NO4.C2H5NO2/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10;1-5(6(10)11)9-7(12)13-8(2,3)4;3-1-2(4)5/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17);5H,1-4H3,(H,9,12)(H,10,11);1,3H2,(H,4,5)/t11-;5-;/m01./s1 > BIBPCHJWPKDXFV-IFJCJQNSSA-N > 529.26354445 > C24H39N3O10 > 529.6 > CC(C(=O)O)NC(=O)OC(C)(C)C.CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)O.C(C(=O)O)N > C[C@H](C(=O)O)NC(=O)OC(C)(C)C.CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O.C(C(=O)O)N > 215 > 529.26354445 > 0 > 37 > 2 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 15 11 6 32 12 5 21 27 8 21 28 8 27 30 8 28 31 8 30 33 8 31 33 8 $$$$