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(S)-N-[(R)-N-(3,5-Dinotrobenzoyl)prolyl]valine methyl ester

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

(S)-N-[(R)-N-(3,5-Dinotrobenzoyl)prolyl]valine methyl ester
SpectraBase Compound ID ElTltwEQok
InChI InChI=1S/C18H22N4O8/c1-10(2)15(18(25)30-3)19-16(23)14-5-4-6-20(14)17(24)11-7-12(21(26)27)9-13(8-11)22(28)29/h7-10,14-15H,4-6H2,1-3H3,(H,19,23)/t14-,15+/m1/s1
InChIKey JQCSFICBJGTVNJ-CABCVRRESA-N
Mol Weight 422.39 g/mol
Molecular Formula C18H22N4O8
Exact Mass 422.143764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KNrlPED4n6p
Name (S)-N-[(R)-N-(3,5-Dinotrobenzoyl)prolyl]valine methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.143763676 u
Formula C18H22N4O8
InChI InChI=1S/C18H22N4O8/c1-10(2)15(18(25)30-3)19-16(23)14-5-4-6-20(14)17(24)11-7-12(21(26)27)9-13(8-11)22(28)29/h7-10,14-15H,4-6H2,1-3H3,(H,19,23)/t14-,15+/m1/s1
InChIKey JQCSFICBJGTVNJ-CABCVRRESA-N
Molecular Weight 422.394 g/mol
SMILES C(N1[C@@](C(N[C@](C(=O)OC)(C(C)C)[H])=O)(CCC1)[H])(C1=CC(N(=O)=O)=CC(N(=O)=O)=C1)=O