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1-{(3'S,5'R)-1'-(2S-AMINO-3-(4-METHOXYPHENYL)-PROPANOYL-5'-(HYDROXYMETHYL)-PIPERIDIN-3'-YL}-2,4-(1H,3H)-PYRIMIDINEDIONE;MAJOR-ROTAMER

View entire compound with spectra: 2 NMR

1-{(3'S,5'R)-1'-(2S-AMINO-3-(4-METHOXYPHENYL)-PROPANOYL-5'-(HYDROXYMETHYL)-PIPERIDIN-3'-YL}-2,4-(1H,3H)-PYRIMIDINEDIONE;MAJOR-ROTAMER
SpectraBase Compound ID 6n4it7kRjeM
InChI InChI=1S/C20H26N4O5/c1-29-16-4-2-13(3-5-16)9-17(21)19(27)23-10-14(12-25)8-15(11-23)24-7-6-18(26)22-20(24)28/h2-7,14-15,17,25H,8-12,21H2,1H3,(H,22,26,28)/t14-,15+,17-/m1/s1
InChIKey ZOSWGDZTYCGMNK-HLLBOEOZSA-N
Mol Weight 402.45 g/mol
Molecular Formula C20H26N4O5
Exact Mass 402.19032 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F6XdvDRA17O
Name 1-{(3'S,5'R)-1'-(2S-AMINO-3-(4-METHOXYPHENYL)-PROPANOYL)-5'-(HYDROXYMETHYL)-PIPERIDIN-3'-YL}-2,4-(1H,3H)-PYRIMIDINEDIONE;MINOR-ROTAMER
Compound Number 20A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26N4O5
InChI InChI=1S/C20H26N4O5/c1-29-16-4-2-13(3-5-16)9-17(21)19(27)23-10-14(12-25)8-15(11-23)24-7-6-18(26)22-20(24)28/h2-7,14-15,17,25H,8-12,21H2,1H3,(H,22,26,28)/t14-,15+,17-/m1/s1
InChIKey ZOSWGDZTYCGMNK-HLLBOEOZSA-N
Literature Reference Author P.G.HULTIN,W.A.SZAREK
Literature Reference Citation CAN.J.CHEM.,72,1978(1994)
Literature Reference DOI 10.1139/v94-253
Molecular Weight 402.450 g/mol
Solvent D2O
Source File Reference UWPR1605