2389-45-9

N-Boc-N'-Cbz-L-lysine(2389-45-9) MS

Molecular FormulaC19H28N2O6

Molecular Weight380.44

InChIInChI=1S/C19H28N2O6/c1-19(2,3)27-18(25)21-15(16(22)23)11-7-8-12-20-17(24)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 BDHUTRNYBGWPBL-HNNXBMFYSA-N

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

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N-Boc-N'-Cbz-L-lysine(2389-45-9) MS
Mass

MS-IW-6664          
N(6)-benzyloxycarbonyl-N(2)-tert-butoxycarbonyl-L-lysine
C19H28N2O6          (Mass of molecular ion:    380)

   Source Temperature: 190 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      15.0       1.4
      17.0       3.0
      18.0      16.8
      26.0       1.1
      27.0       5.6
      28.0      10.8
      29.0       5.5
      30.0       4.4
      31.0      11.9
      38.0       1.2
      39.0       8.4
      40.0       1.8
      41.0      22.3
      42.0       3.0
      43.0      13.5
      44.0      21.3
      50.0       2.4
      51.0       5.3
      52.0       2.4
      53.0       3.4
      54.0       2.9
      55.0       9.2
      56.0      14.5
      57.0      11.4
      59.0      42.0
      60.0       1.4
      63.0       1.4
      65.0       6.1
      67.0       1.5
      69.0       1.2
      70.0       2.4
      74.0       1.4
      77.0      11.3
      78.0       3.2
      79.0      25.3
      80.0       3.3
      81.0       1.5
      82.0       4.4
      83.0       5.7
      84.0       6.7
      85.0       1.1
      87.0       1.9
      89.0       2.8
      90.0       3.9
      91.0      63.5
      92.0       6.4
      97.0       1.0
      98.0       2.2
      99.0       1.2
     100.0       2.7
     101.0       1.8
     105.0       2.5
     106.0       2.1
     107.0      26.9
     108.0     100.0
     109.0       9.0
     110.0       2.7
     111.0       1.0
     120.0       1.1
     124.0       1.3
     126.0       1.2
     127.0       6.6
     128.0       7.1
     171.0       1.6
     173.0       2.3
     174.0       3.0
     217.0       1.3
     218.0       1.9
     280.0       3.6
     306.0       2.9
     324.0       1.0

400 MHz in CDCl3

N-Boc-N'-Cbz-L-lysine(2389-45-9) MS

¹H NMR	399.65 MHz
C₁₉ H₂₈ N₂ O₆	0.041 g : 0.5 ml CDCl₃
N(6)-benzyloxycarbonyl-N(2)-tert-butoxycarbonyl-L-lysine

    Assign.     Shift(ppm)

      A            10.3
      B             7.34
      C             7.31
      D             6.40
      D             6.36
      E             5.33
      E             5.04
      F             5.088
      F             5.143
      G             4.30
      G             4.09
      J             3.17
      K     *1      1.82
      L     *1      1.69
      M             1.51
      N             1.431
     
     MIXTURE OF CONFORMERS

     Hz     ppm     Int.

   2936.40   7.348    255
   2932.59   7.338    363
   2924.96   7.319     62
   2921.75   7.311     54
   2916.72   7.299     36
   2055.51   5.144     43
   2033.54   5.089    180
   1717.38   4.298     23
   1272.74   3.185     60
   1271.97   3.183     60
   1269.84   3.178     54
   1266.78   3.170     60
    673.83   1.687     26
    609.74   1.526     48
    603.18   1.510     61
    596.31   1.493     58
    589.60   1.476     54
    572.20   1.432   1000

in CDCl3