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(S)-1-(Benzoyl-L-prolyl)-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SpectraBase Compound ID DM46EgDKvCR
InChI InChI=1S/C23H26N4O3/c28-21(25-16-17-10-12-24-13-11-17)19-8-4-14-26(19)23(30)20-9-5-15-27(20)22(29)18-6-2-1-3-7-18/h1-3,6-7,10-13,19-20H,4-5,8-9,14-16H2,(H,25,28)/t19-,20-/m0/s1
InChIKey DXOZJKSSPRYYQN-PMACEKPBSA-N
Mol Weight 406.49 g/mol
Molecular Formula C23H26N4O3
Exact Mass 406.200491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FxOPxQoeukW
Name (S)-1-(Benzoyl-L-prolyl)-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.200490710 u
Formula C23H26N4O3
InChI InChI=1S/C23H26N4O3/c28-21(25-16-17-10-12-24-13-11-17)19-8-4-14-26(19)23(30)20-9-5-15-27(20)22(29)18-6-2-1-3-7-18/h1-3,6-7,10-13,19-20H,4-5,8-9,14-16H2,(H,25,28)/t19-,20-/m0/s1
InChIKey DXOZJKSSPRYYQN-PMACEKPBSA-N
Molecular Weight 406.486 g/mol
SMILES [C@]1(N(CCC1)C([C@]1(N(CCC1)C(C1=CC=CC=C1)=O)[H])=O)(C(=O)NCC=1C=CN=CC1)[H]