2188-18-3

N-Boc-N'-nitro-L-arginine(2188-18-3) MS

Molecular FormulaC11H21N5O6

Molecular Weight319.31

InChIInChI=1S/C11H21N5O6/c1-11(2,3)22-10(19)14-7(8(17)18)5-4-6-13-9(12)15-16(20)21/h7H,4-6H2,1-3H3,(H,14,19)(H,17,18)(H3,12,13,15)/t7-/m0/s1

InChIKey OZSSOVRIEPAIMP-ZETCQYMHSA-N

SmilesC(O)(=O)[C@H](CCCNC(=N)N[N+]([O-])=O)NC(OC(C)(C)C)=O

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N-Boc-N'-nitro-L-arginine(2188-18-3) MS
Mass

MS-NW-9133          
N(alpha)-tert-butoxycarbonyl-N(omega)-nitro-L-arginine
C11H21N5O6          (Mass of molecular ion:    319)

   Source Temperature: 200 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      16.0       4.0
      17.0       4.1
      18.0      20.8
      26.0       1.8
      27.0      15.1
      28.0      26.1
      29.0       9.5
      37.0       2.3
      38.0       3.6
      39.0      37.7
      40.0      10.0
      41.0      78.1
      42.0       3.4
      43.0       1.2
      44.0     100.0
      45.0       1.5
      49.0       1.0
      50.0       4.1
      51.0       4.1
      53.0       5.3
      54.0       2.2
      55.0      30.4
      56.0      52.2
      57.0       4.3

400 MHz in DMSO-d6

N-Boc-N'-nitro-L-arginine(2188-18-3) MS

¹H NMR	399.65 MHz
C₁₁ H₂₁ N₅ O₆	0.041 g : 0.5 ml DMSO-d₆
N(alpha)-tert-butoxycarbonyl-N(omega)-nitro-L-arginine

    Assign.     Shift(ppm)

      A             7.07
      B             3.87
      C             3.13
      D     *1      1.68
      E     *1      1.55
      F             1.384

     Hz     ppm     Int.

   2830.51   7.083     45
   2822.57   7.063     45
    673.07   1.685     27
    617.52   1.546     64
    553.13   1.385   1000
    540.92   1.354     78

in DMSO-d6