Z-L-LEUCYL-L-ALANINE(2817-13-2) IR2
Product NameZ-L-LEUCYL-L-ALANINE
CAS2817-13-2
Molecular FormulaC17H24N2O5
Molecular Weight336.38
InChIInChI=1S/C17H24N2O5/c1-11(2)9-14(15(20)18-12(3)16(21)22)19-17(23)24-10-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,18,20)(H,19,23)(H,21,22)/t12-,14-/m0/s1
InChIKey CWMXJBNCYBDNTJ-JSGCOSHPSA-N
SmilesC(O)(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(OCC1=CC=CC=C1)=O
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MassMS-NW-2347 N-benzyloxycarbonyl-L-leucyl-L-alanine C17H24N2O5 (Mass of molecular ion: 336)
Source Temperature: 250 °C Sample Temperature: 180 °C Direct, 75 eV
15.0 8.6 17.0 1.7 18.0 7.6 26.0 3.6 27.0 29.2 28.0 27.9 29.0 17.7 30.0 21.3 31.0 4.1 37.0 2.1 38.0 4.2 39.0 22.5 40.0 4.5 41.0 35.0 42.0 22.2 43.0 57.5 44.0 73.2 45.0 5.9 49.0 1.2 50.0 9.6 51.0 21.9 52.0 7.6 53.0 7.8 53.5 1.2 54.0 3.9 55.0 13.3 56.0 4.9 57.0 10.8 61.0 1.2 62.0 2.5 63.0 6.3 64.0 1.6 65.0 10.6 66.0 1.4 67.0 1.7 68.0 4.4 69.0 8.3 70.0 42.5 71.0 3.8 72.0 1.1 73.0 1.4 74.0 6.5 75.0 1.7 76.0 1.5 77.0 47.2 78.0 11.9 79.0 100.0 80.0 10.6 81.0 1.9 82.0 2.7 83.0 2.8 84.0 3.8 85.0 1.3 86.0 46.9 87.0 3.2 88.0 10.7 89.0 6.5 90.0 8.8 91.0 59.2 92.0 7.2 96.0 2.7 97.0 2.1 98.0 7.9 99.0 6.7 100.0 7.0 105.0 3.9 106.0 1.9 107.0 60.0 108.0 84.0 109.0 6.8 110.0 1.1 112.0 8.4 113.0 7.7 116.0 1.7 125.0 1.3 126.0 88.0 127.0 6.6 128.0 2.7 139.0 9.0 140.0 2.6 141.0 4.5 154.0 18.1 155.0 52.5 156.0 5.6 167.0 5.6 168.0 1.0 171.0 4.8 172.0 89.0 173.0 6.9 174.0 1.0 176.0 7.9 177.0 1.1 180.0 2.8 181.0 1.3 182.0 7.5 183.0 52.2 184.0 12.7 185.0 2.7 220.0 3.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C17 H24 N2 O5 0.048 g : 0.5 ml CDCl3 N-benzyloxycarbonyl-L-leucyl-L-alanine 
Assign. Shift(ppm)
A 10.2 B 7.31 C *1 7.08 D *1 5.83 E 5.086 F 4.53 G 4.30 J 1.95 to 1.22 K 1.382 L 0.90
Hz ppm Int.910.89 10.171 57 910.46 10.166 57 654.28 7.306 1000 455.53 5.087 228 405.88 4.532 42 144.41 1.613 74 143.73 1.605 73 143.38 1.601 72 142.96 1.597 72 142.44 1.591 67 141.50 1.580 63 141.08 1.576 62 140.39 1.568 64 139.97 1.563 65 139.37 1.557 66 138.60 1.548 65 135.01 1.508 39 127.15 1.420 149 123.39 1.378 46 120.06 1.341 137 82.12 0.917 241 77.93 0.871 216
KBr disc
nujol mull
4880 A,200 M,powder
