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Glycine, N-[N2-[(phenylmethoxy)carbonyl]-L-glutaminyl]-, phenyl ester
SpectraBase Compound ID 3GjomInj8BA
InChI InChI=1S/C21H23N3O6/c22-18(25)12-11-17(24-21(28)29-14-15-7-3-1-4-8-15)20(27)23-13-19(26)30-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H2,22,25)(H,23,27)(H,24,28)/t17-/m0/s1
InChIKey BQZSEEVHQLCFMD-KRWDZBQOSA-N
Mol Weight 413.43 g/mol
Molecular Formula C21H23N3O6
Exact Mass 413.158685 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B5IeiEUznOD
Name Glycine, N-[N2-[(phenylmethoxy)carbonyl]-L-glutaminyl]-, phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 413.158685467 u
Formula C21H23N3O6
InChI InChI=1S/C21H23N3O6/c22-18(25)12-11-17(24-21(28)29-14-15-7-3-1-4-8-15)20(27)23-13-19(26)30-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H2,22,25)(H,23,27)(H,24,28)/t17-/m0/s1
InChIKey BQZSEEVHQLCFMD-KRWDZBQOSA-N
Molecular Weight 413.430 g/mol
SMILES C(N[C@](C(NCC(OC=1C=CC=CC1)=O)=O)(CCC(=O)N)[H])(=O)OCC1=CC=CC=C1