H-TRP-GLU-OH(36099-95-3) 13C NMR
Product NameH-TRP-GLU-OH
CAS36099-95-3
Molecular FormulaC16H19N3O5
Molecular Weight333.34
InChIInChI=1S/C16H19N3O5/c17-11(7-9-8-18-12-4-2-1-3-10(9)12)15(22)19-13(16(23)24)5-6-14(20)21/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24)/t11-,13-/m0/s1
InChIKey PWIQCLSQVQBOQV-AAEUAGOBSA-N
SmilesC(O)(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1C2=C(C=CC=C2)NC=1)N
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ppm Int. Assign.
179.23 596 1 177.18 553 2 169.59 699 3 137.08 479 4 127.41 688 5 126.19 779 6 122.99 938 7 * 120.37 1000 8 * 118.90 955 9 * 112.89 866 10 107.07 845 11 55.24 892 12 54.48 846 13 31.73 945 14 27.99 988 15 # 27.58 836 16 #Spectral Code: 13C NMR : in D2O
