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L-Aspartyl-(S)-cyclohexylglycine methyl ester
SpectraBase Compound ID GQyPFFE9zMc
InChI InChI=1S/C13H22N2O5/c1-20-13(19)11(8-5-3-2-4-6-8)15-12(18)9(14)7-10(16)17/h8-9,11H,2-7,14H2,1H3,(H,15,18)(H,16,17)/t9-,11-/m0/s1
InChIKey BIRCGOOHPDTWKG-ONGXEEELSA-N
Mol Weight 286.33 g/mol
Molecular Formula C13H22N2O5
Exact Mass 286.152872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DI0WpS9cNrV
Name L-Aspartyl-(S)-cyclohexylglycine methyl ester
Alternate Name(s) (3S)-3-amino-4-{[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]amino}-4-oxobutanoic acid
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Formula C13H22N2O5
InChI InChI=1S/C13H22N2O5/c1-20-13(19)11(8-5-3-2-4-6-8)15-12(18)9(14)7-10(16)17/h8-9,11H,2-7,14H2,1H3,(H,15,18)(H,16,17)/t9-,11-/m0/s1
InChIKey BIRCGOOHPDTWKG-ONGXEEELSA-N
Molecular Weight 286.328 g/mol
SMILES N(C([C@](CC(=O)O)(N)[H])=O)[C@](C(=O)OC)(C1CCCCC1)[H]
SPLASH splash10-000i-0090000000-1c6169ff86ebcd7aefbe
Source of Spectrum C-115-431-0
Wiley ID 1289484