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(2S,5R)-1-[2-(tert-butoxycarbonylamino)acetyl]-5-phenyl-proline

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2S,5R)-1-[2-(tert-butoxycarbonylamino)acetyl]-5-phenyl-proline
SpectraBase Compound ID ANHSZsLxKPZ
InChI InChI=1S/C18H24N2O5/c1-18(2,3)25-17(24)19-11-15(21)20-13(9-10-14(20)16(22)23)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,24)(H,22,23)/t13-,14+/m1/s1
InChIKey CJIKRICTOCEDDK-KGLIPLIRSA-N
Mol Weight 348.4 g/mol
Molecular Formula C18H24N2O5
Exact Mass 348.168522 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3bWj5Ud0d7P
Name (2S,5R)-1-[2-(Tert-butoxycarbonylamino)acetyl]-5-phenyl-proline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.168521876 u
Formula C18H24N2O5
InChI InChI=1S/C18H24N2O5/c1-18(2,3)25-17(24)19-11-15(21)20-13(9-10-14(20)16(22)23)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,24)(H,22,23)/t13-,14+/m1/s1
InChIKey CJIKRICTOCEDDK-KGLIPLIRSA-N
Molecular Weight 348.399 g/mol
SMILES [C@]1(N([C@](CC1)(C1=CC=CC=C1)[H])C(CNC(OC(C)(C)C)=O)=O)(C(=O)O)[H]