H-GLU-VAL-PHE-OH(31461-61-7) ¹³C NMR

Molecular FormulaC19H27N3O6

Molecular Weight393.43

InChIInChI=1/C19H27N3O6/c1-11(2)16(22-17(25)13(20)8-9-15(23)24)18(26)21-14(19(27)28)10-12-6-4-3-5-7-12/h3-7,11,13-14,16H,8-10,20H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)(H,27,28)/t13-,14-,16-/s3

InChIKey FVGOGEGGQLNZGH-TYURHNAANA-N

SmilesC1(C=CC=CC=1)C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](N)CCC(=O)O |&1:7,14,21,r|

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¹³CNMR

       ppm   Int.  Assign.

      178.08   190      1
      177.08   151      2
      172.74   268      3
      169.71   332      4
      138.07   356      5
      130.08   942      6
      129.38  1000      7
      127.64   491      8
       60.47   344      9
       56.19   336     10
       53.23   375     11
       38.20   393     12
       31.16   370     13 *
       31.02   533     14 *
       27.37   359     15
       19.13   469     16
       18.48   525     16

Spectral Code: 13C NMR : in D2O

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H-GLU-VAL-PHE-OH(31461-61-7) 13C NMR

H-GLU-VAL-PHE-OH(31461-61-7) ¹³C NMR