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N-[4-[[2-(AMINO-4,7-DIHYDRO-4-OXO-3H-PYRROLO-[2,3-D]-PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]-L-GLUTAMIC-ACID;LY231514
SpectraBase Compound ID H4N3wQjCyFS
InChI InChI=1S/C21H22N4O6/c22-16-9-15-18(20(29)25-16)13(10-23-15)6-3-11-1-4-12(5-2-11)19(28)24-14(21(30)31)7-8-17(26)27/h1-2,4-5,9-10,14,23H,3,6-8H2,(H,24,28)(H,26,27)(H,30,31)(H3,22,25,29)/t14-/m0/s1
InChIKey GHSRFASLTMNEFJ-AWEZNQCLSA-N
Mol Weight 426.43 g/mol
Molecular Formula C21H22N4O6
Exact Mass 426.153934 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BJ5SalmL7mh
Name N-[4-[[2-(AMINO-4,7-DIHYDRO-4-OXO-3H-PYRROLO-[2,3-D]-PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]-L-GLUTAMIC-ACID;LY231514
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N4O6
InChI InChI=1S/C21H22N4O6/c22-16-9-15-18(20(29)25-16)13(10-23-15)6-3-11-1-4-12(5-2-11)19(28)24-14(21(30)31)7-8-17(26)27/h1-2,4-5,9-10,14,23H,3,6-8H2,(H,24,28)(H,26,27)(H,30,31)(H3,22,25,29)/t14-/m0/s1
InChIKey GHSRFASLTMNEFJ-AWEZNQCLSA-N
Literature Reference Author J.M.WOODLAND,C.J.BARNETT,D.E.DORMAN,J.M.GRUBER,C.SHIH,L.A.SP ANGLE,T.M.WILSON,W.J
Literature Reference Citation DRUG.MET.DISP.,25,693(1997)
Molecular Weight 426.429 g/mol
Source File Reference UWLU74501