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2-[[(3R,8S,8aS)-6-(tert-butoxycarbonylamino)-8-hydroxy-5-keto-2,3,8,8a-tetrahydrothiazolo[3,2-a]pyridine-3-carbonyl]amino]acetic acid methyl ester

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2-[[(3R,8S,8aS)-6-(tert-butoxycarbonylamino)-8-hydroxy-5-keto-2,3,8,8a-tetrahydrothiazolo[3,2-a]pyridine-3-carbonyl]amino]acetic acid methyl ester
SpectraBase Compound ID 7I1wt737n0T
InChI InChI=1S/C16H23N3O7S/c1-16(2,3)26-15(24)18-8-5-10(20)14-19(13(8)23)9(7-27-14)12(22)17-6-11(21)25-4/h5,9-10,14,20H,6-7H2,1-4H3,(H,17,22)(H,18,24)/t9-,10-,14-/m0/s1
InChIKey UZFUEJALDARSEL-BHDSKKPTSA-N
Mol Weight 401.43 g/mol
Molecular Formula C16H23N3O7S
Exact Mass 401.125671 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5t3DQFRu3JE
Name 2-[[(3R,8S,8aS)-6-(tert-butoxycarbonylamino)-8-hydroxy-5-keto-2,3,8,8a-tetrahydrothiazolo[3,2-a]pyridine-3-carbonyl]amino]acetic acid methyl ester
Compound Number 5
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H23N3O7S
InChI InChI=1S/C16H23N3O7S/c1-16(2,3)26-15(24)18-8-5-10(20)14-19(13(8)23)9(7-27-14)12(22)17-6-11(21)25-4/h5,9-10,14,20H,6-7H2,1-4H3,(H,17,22)(H,18,24)/t9-,10-,14-/m0/s1
InChIKey UZFUEJALDARSEL-BHDSKKPTSA-N
Literature Reference Author P.TREMMEL,A.GEYER
Literature Reference Citation EUR.J.ORG.CHEM.,3475(2005)
Molecular Weight 401.435 g/mol
Sample ID 30127
Solvent DMSO-D6