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Methyl-N-acetyl-D-phenylalanyl-L-cis-proline

View entire compound with spectra: 3 NMR

Methyl-N-acetyl-D-phenylalanyl-L-cis-proline
SpectraBase Compound ID JQUGpF2cefB
InChI InChI=1S/C17H22N2O4/c1-12(20)18-14(11-13-7-4-3-5-8-13)16(21)19-10-6-9-15(19)17(22)23-2/h3-5,7-8,14-15H,6,9-11H2,1-2H3,(H,18,20)/t14-,15-/m0/s1
InChIKey JTLJWLXDBYTJGZ-GJZGRUSLSA-N
Mol Weight 318.37 g/mol
Molecular Formula C17H22N2O4
Exact Mass 318.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AxMXpPPIiBB
Name Methyl-N-acetyl-D-phenylalanyl-L-cis-proline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.157957192 u
Formula C17H22N2O4
InChI InChI=1S/C17H22N2O4/c1-12(20)18-14(11-13-7-4-3-5-8-13)16(21)19-10-6-9-15(19)17(22)23-2/h3-5,7-8,14-15H,6,9-11H2,1-2H3,(H,18,20)/t14-,15-/m0/s1
InChIKey JTLJWLXDBYTJGZ-GJZGRUSLSA-N
Molecular Weight 318.373 g/mol
SMILES C(N1[C@](C(=O)OC)(CCC1)[H])([C@@](NC(=O)C)(CC=1C=CC=CC1)[H])=O