901-47-3

p-Toluenesulfonyl-L-arginine methyl ester HCl(901-47-3) IR1

Product Namep-Toluenesulfonyl-L-arginine methyl ester HCl

Molecular FormulaC14H22N4O4S

Molecular Weight342.41

InChIInChI=1S/C14H22N4O4S/c1-10-5-7-11(8-6-10)23(20,21)18-12(13(19)22-2)4-3-9-17-14(15)16/h5-8,12,18H,3-4,9H2,1-2H3,(H4,15,16,17)/t12-/m0/s1

InChIKey FKMJXALNHKIDOD-LBPRGKRZSA-N

SmilesC(OC)(=O)[C@H](CCCNC(N)=N)NS(C1=CC=C(C)C=C1)(=O)=O

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¹HNMR

¹³CNMR

IR1

p-Toluenesulfonyl-L-arginine methyl ester HCl(901-47-3) IR1

    Assign.     Shift(ppm)

      A             8.34
      B             7.86
      C             7.646
      D     *1      7.4
      E             7.384
      F     *1      7.1
      G             3.752
      J             3.384
      K             3.030
      L             2.382
      M     *2      1.62
      N     *2      1.55
      P     *3      1.45
      Q     *3      1.36
     
     ASSIGNED BY H-H AND C-H COSY.
     J(A,G)=8.7HZ
     J(B,K)=5.5HZ

Spectral Code: 1H NMR : 400 MHz in DMSO-d6

p-Toluenesulfonyl-L-arginine methyl ester HCl(901-47-3) IR1

       ppm   Int.  Assign.

      171.45   618      1
      156.92   604      2
      142.67   514      3
      137.84   524      4
      129.39  1000      5
      126.42   979      6
       55.19   382      7
       51.74   485      8
       39.65   282      9
       28.81   309     10
       24.73   326     11
       20.94   480     12
     
     CONFIRMED BY C-H COSY.

Spectral Code: 13C NMR : in DMSO-d6