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(2S)-2-[[(3R)-6-amino-5-keto-2,3-dihydrothiazolo[2,3-f]pyridine-3-carbonyl]amino]-3-phenyl-propionic acid methyl ester hydrochloride

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(2S)-2-[[(3R)-6-amino-5-keto-2,3-dihydrothiazolo[2,3-f]pyridine-3-carbonyl]amino]-3-phenyl-propionic acid methyl ester hydrochloride
SpectraBase Compound ID CmTEtRYVOkC
InChI InChI=1S/C18H19N3O4S.ClH/c1-25-18(24)13(9-11-5-3-2-4-6-11)20-16(22)14-10-26-15-8-7-12(19)17(23)21(14)15;/h2-8,13-14H,9-10,19H2,1H3,(H,20,22);1H/t13-,14-;/m0./s1
InChIKey SEVXEDXTPITFST-IODNYQNNSA-N
Mol Weight 409.89 g/mol
Molecular Formula C18H20ClN3O4S
Exact Mass 409.086305 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9yhwgm9o8KH
Name (2S)-2-[[(3R)-6-amino-5-keto-2,3-dihydrothiazolo[2,3-f]pyridine-3-carbonyl]amino]-3-phenyl-propionic acid methyl ester hydrochloride
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20ClN3O4S
InChI InChI=1S/C18H19N3O4S.ClH/c1-25-18(24)13(9-11-5-3-2-4-6-11)20-16(22)14-10-26-15-8-7-12(19)17(23)21(14)15;/h2-8,13-14H,9-10,19H2,1H3,(H,20,22);1H/t13-,14-;/m0./s1
InChIKey SEVXEDXTPITFST-IODNYQNNSA-N
Literature Reference Author P.TREMMEL,A.GEYER
Literature Reference Citation EUR.J.ORG.CHEM.,3475(2005)
Molecular Weight 409.888 g/mol
Sample ID 30133
Solvent DMSO-D6