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(R)-N-[3-(3-ETHYLTHIO-UREODO)-BENZYL]-2-ACETAMIDO-3-METHOXYPROPIONAMIDE
SpectraBase Compound ID 2e4O4qxgVh5
InChI InChI=1S/C16H24N4O3S/c1-4-17-16(24)20-13-7-5-6-12(8-13)9-18-15(22)14(10-23-3)19-11(2)21/h5-8,14H,4,9-10H2,1-3H3,(H,18,22)(H,19,21)(H2,17,20,24)/t14-/m1/s1
InChIKey VOFVWFHDYAFKLD-CQSZACIVSA-N
Mol Weight 352.45 g/mol
Molecular Formula C16H24N4O3S
Exact Mass 352.156912 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I4nEBbXpPwG
Name (R)-N-[3-(3-ETHYLTHIO-UREODO)-BENZYL]-2-ACETAMIDO-3-METHOXYPROPIONAMIDE
Compound Number 34
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H24N4O3S
InChI InChI=1S/C16H24N4O3S/c1-4-17-16(24)20-13-7-5-6-12(8-13)9-18-15(22)14(10-23-3)19-11(2)21/h5-8,14H,4,9-10H2,1-3H3,(H,18,22)(H,19,21)(H2,17,20,24)/t14-/m1/s1
InChIKey VOFVWFHDYAFKLD-CQSZACIVSA-N
Literature Reference Author A.L.TIRAN,J.P.STABLES,H.KOHN
Literature Reference Citation J.MED.CHEM.,45,4762(2002)
Literature Reference DOI 10.1021/jm020225f
Molecular Weight 352.452 g/mol
Sample ID 65145
Solvent CD3COOD:D2O=0