Z-LYS(BOC)-OH(2389-60-8) MS

Molecular FormulaC19H28N2O6

Molecular Weight380.44

InChIInChI=1S/C19H28N2O6/c1-19(2,3)27-17(24)20-12-8-7-11-15(16(22)23)21-18(25)26-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)/t15-/m0/s1

InChIKey DYSBKEOCHROEGX-HNNXBMFYSA-N

SmilesC(O)(=O)[C@H](CCCCNC(OC(C)(C)C)=O)NC(OCC1=CC=CC=C1)=O

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Mass

MS-IW-9272          
N(2)-benzyloxycarbonyl-N(6)-tert-butoxycarbonyl-L-lysine
C19H28N2O6          (Mass of molecular ion:    380)

   Source Temperature: 170 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      15.0       1.2
      16.0       1.1
      18.0       4.9
      26.0       2.0
      27.0       9.6
      28.0      17.9
      29.0      16.1
      30.0      40.1
      31.0       5.1
      37.0       1.6
      38.0       2.8
      39.0      17.2
      40.0       3.2
      41.0      43.3
      42.0       5.7
      43.0      16.3
      44.0      34.1
      45.0       3.1
      50.0       6.3
      51.0      12.6
      52.0       4.1
      53.0       6.0
      53.5       1.3
      54.0       3.4
      55.0      10.9
      56.0      25.6
      57.0     100.0
      58.0       5.7
      59.0      24.7
      60.0       1.2
      62.0       2.2
      63.0       3.2
      64.0       1.0
      65.0       9.8
      66.0       1.7
      67.0       1.8
      68.0       1.1
      69.0       1.5
      70.0       3.0
      71.0       3.2
      72.0       3.2
      73.0       1.6
      74.0       5.9
      75.0       1.6
      76.0       1.1
      77.0      25.8
      78.0       6.4
      79.0      48.7
      80.0       5.4
      81.0       1.1
      82.0       8.1
      83.0      11.2
      84.0      25.8
      85.0       2.2
      86.0       1.6
      87.0       5.7
      89.0       4.9
      90.0       5.6
      91.0      87.4
      92.0       8.7
      98.0       2.5
      99.0       7.1
     100.0       2.6
     105.0       4.2
     106.0       3.4
     107.0      37.2
     108.0      53.4
     109.0       3.9
     110.0       2.2
     111.0       2.2
     115.0       1.8
     116.0       3.0
     117.0       1.2
     127.0       8.7
     128.0      30.5
     129.0       4.5
     130.0       3.3
     131.0       5.4
     143.0       3.4
     144.0       2.3
     145.0       1.6
     154.0       2.1
     155.0       2.0
     171.0       3.5
     172.0       4.6
     173.0       3.7
     174.0       1.4
     189.0       2.0
     199.0       3.2
     213.0       1.1
     216.0       2.0
     217.0       1.7
     218.0       4.7
     262.0       1.6
     263.0       1.5
     280.0       6.0
     281.0       1.3
     324.0       1.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₉ H₂₈ N₂ O₆	0.038 g : 0.5 ml DMSO-d₆
N(2)-benzyloxycarbonyl-N(6)-tert-butoxycarbonyl-L-lysine

    Assign.     Shift(ppm)

      A            12.6
      B             7.55
      C             7.36
      D             7.33
      E             6.78
      F             5.034
      G             3.912
      J             2.890
      K     *1      1.66
      L     *1      1.57
      M             1.368
      N             1.29

     Hz     ppm     Int.

   3020.42   7.558     35
   3012.54   7.538     34
   2946.97   7.374     96
   2945.68   7.371    119
   2941.84   7.362    362
   2936.53   7.348     39
   2931.76   7.336     38
   2929.02   7.329     31
   2927.55   7.326     33
   2923.15   7.315     38
   2708.67   6.778     31
   2012.08   5.035    200
    546.94   1.369   1000
    534.11   1.337     48
    533.75   1.336     48
    533.38   1.335     48
    532.83   1.334     48
    532.46   1.333     48
    528.80   1.324     40
    528.07   1.322     39
    527.15   1.320     39
    525.87   1.316     39
    525.32   1.315     39
    524.96   1.314     39
    522.76   1.309     35
    521.29   1.305     35

in DMSO-d6