H-HIS-TYR-OH(35979-00-1) 13C NMR
Product NameH-HIS-TYR-OH
CAS35979-00-1
Molecular FormulaC15H18N4O4
Molecular Weight318.33
InChIInChI=1S/C15H18N4O4/c16-12(6-10-7-17-8-18-10)14(21)19-13(15(22)23)5-9-1-3-11(20)4-2-9/h1-4,7-8,12-13,20H,5-6,16H2,(H,17,18)(H,19,21)(H,22,23)/t12-,13-/m0/s1
InChIKey HTOOKGDPMXSJSY-STQMWFEESA-N
SmilesC(O)(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC1N=CNC=1)N
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ppm Int. Assign.
178.50 176 1 171.16 250 2 154.98 233 3 136.24 418 4 131.28 1000 5 130.25 739 6 7 118.60 471 8 116.14 997 9 57.57 482 10 53.91 467 11 37.28 405 12 29.45 359 13Spectral Code: 13C NMR : in D2O