DL-LEUCYL-GLYCYL-GLYCINE(4337-37-5) IR1
Product NameDL-LEUCYL-GLYCYL-GLYCINE
CAS4337-37-5
Molecular FormulaC10H19N3O4
Molecular Weight245.28
InChIInChI=1S/C10H19N3O4/c1-6(2)3-7(11)10(17)13-4-8(14)12-5-9(15)16/h6-7H,3-5,11H2,1-2H3,(H,12,14)(H,13,17)(H,15,16)/t7-/m0/s1
InChIKey VWHGTYCRDRBSFI-ZETCQYMHSA-N
SmilesC(O)(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)N
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MassMS-NW-2133 DL-leucylglycylglycine C10H19N3O4 (Mass of molecular ion: 245)
Source Temperature: 200 °C Sample Temperature: 200 °C Direct, 75 eV
14.0 1.1 15.0 2.0 16.0 1.1 17.0 4.4 18.0 21.3 26.0 2.0 27.0 9.2 28.0 16.7 29.0 6.7 30.0 56.2 31.0 1.4 38.0 1.2 39.0 5.9 40.0 3.0 41.0 16.1 42.0 8.3 43.0 28.6 44.0 28.2 45.0 1.0 52.0 1.0 53.0 1.4 54.0 2.2 55.0 3.8 56.0 3.3 57.0 3.1 67.0 1.6 68.0 1.8 69.0 2.0 70.0 6.0 71.0 1.2 72.0 1.1 74.0 1.4 76.0 1.8 81.0 1.6 82.0 1.9 84.0 3.3 85.0 6.0 86.0 100.0 87.0 6.0 96.0 1.2 97.0 1.6 98.0 1.4 99.0 1.0 113.0 2.6 114.0 7.1 125.0 1.5 127.0 1.2 153.0 3.7
400 MHz in D2O
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1H NMR 399.65 MHz C10 H19 N3 O4 0.036 g : 0.5 ml D2O DL-leucylglycylglycine 
Assign. Shift(ppm)
A *1 4.09 B 4.08 C *1 3.976 D *2 3.797 E *2 3.784 F 1.77 G 1.71 J *3 0.981 K *3 0.966 THE SOLVENT SIGNAL REMOVED.
Hz ppm Int.1646.97 4.122 168 1640.01 4.104 79 1632.45 4.085 177 1630.25 4.080 336 1625.61 4.068 106 1594.97 3.991 311 1578.25 3.950 169 1533.57 3.838 36 1516.24 3.794 484 1513.67 3.788 474 1496.46 3.745 38 724.61 1.814 30 718.75 1.799 76 710.82 1.779 173 704.71 1.764 179 703.13 1.760 183 697.14 1.745 134 692.75 1.734 79 691.04 1.730 83 688.11 1.722 71 686.65 1.719 69 684.69 1.714 85 683.47 1.711 80 678.59 1.698 57 677.25 1.695 55 670.90 1.679 35 394.90 0.989 692 389.40 0.975 1000 383.30 0.960 653 378.66 0.948 68
in D2O
KBr disc
nujol mull
