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Methyl N-[(1S,2R)-1-Acetamido-2-hydroxy-4-cyclopentene-1-carbonyl]-(R)-valinate
SpectraBase Compound ID 12SK5Uf9E7A
InChI InChI=1S/C14H22N2O5/c1-8(2)11(12(19)21-4)15-13(20)14(16-9(3)17)7-5-6-10(14)18/h5,7-8,10-11,18H,6H2,1-4H3,(H,15,20)(H,16,17)/t10-,11-,14+/m1/s1
InChIKey KMPYHJTXCFXZTO-GYSYKLTISA-N
Mol Weight 298.34 g/mol
Molecular Formula C14H22N2O5
Exact Mass 298.152872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4DP52rWAvw
Name Methyl N-[(1S,2R)-1-Acetamido-2-hydroxy-4-cyclopentene-1-carbonyl]-(R)-valinate
Alternate Name(s) Methyl (2R)-2-({[(1S,5R)-1-(acetylamino)-5-hydroxy-2-cyclopenten-1-yl]carbonyl}amino)-3-methylbutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22N2O5
InChI InChI=1S/C14H22N2O5/c1-8(2)11(12(19)21-4)15-13(20)14(16-9(3)17)7-5-6-10(14)18/h5,7-8,10-11,18H,6H2,1-4H3,(H,15,20)(H,16,17)/t10-,11-,14+/m1/s1
InChIKey KMPYHJTXCFXZTO-GYSYKLTISA-N
Molecular Weight 298.339 g/mol
SMILES N(C([C@]1([C@@](CC=C1)(O)[H])NC(=O)C)=O)[C@@](C(=O)OC)(C(C)C)[H]
SPLASH splash10-00dj-9600000000-089b009ff09ca641bfaa
Source of Spectrum F-53-5935-13
Wiley ID 801755