H-VAL-ALA-ALA-PHE-OH(21957-32-4) ¹³C NMR

CAS 21957-32-4

Molecular FormulaC20H30N4O5

Molecular Weight406.48

InChIInChI=1S/C20H30N4O5/c1-11(2)16(21)19(27)23-12(3)17(25)22-13(4)18(26)24-15(20(28)29)10-14-8-6-5-7-9-14/h5-9,11-13,15-16H,10,21H2,1-4H3,(H,22,25)(H,23,27)(H,24,26)(H,28,29)/t12-,13-,15-,16-/m0/s1

InChIKey AMBKWKJGMIHTJR-SDADXPQNSA-N

SmilesC(O)(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)N

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¹³CNMR

       ppm   Int.  Assign.

      177.86   206      1
      174.50   248      2 *
      174.18   295      3 *
      169.68   304      4
      138.23   330      5
      130.24   782      6
      129.32  1000      7
      127.59   433      8
       59.25   371      9
       56.59   295     10
       50.39   648     11
                       12
       38.31   354     13
       30.72   472     14
       18.40   389     15
       17.61   808     15 #
                       16 #
       17.51   536     17 #

Spectral Code: 13C NMR : in D2O

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H-VAL-ALA-ALA-PHE-OH(21957-32-4) 13C NMR

H-VAL-ALA-ALA-PHE-OH(21957-32-4) ¹³C NMR