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(S)-1-((2,6-Difluorobenzoyl)-D-prolyl)-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

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(S)-1-((2,6-Difluorobenzoyl)-D-prolyl)-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SpectraBase Compound ID DrxckpiHShC
InChI InChI=1S/C23H24F2N4O3/c24-16-4-1-5-17(25)20(16)23(32)29-13-3-7-19(29)22(31)28-12-2-6-18(28)21(30)27-14-15-8-10-26-11-9-15/h1,4-5,8-11,18-19H,2-3,6-7,12-14H2,(H,27,30)/t18-,19+/m0/s1
InChIKey YDXQDNWANONGEB-RBUKOAKNSA-N
Mol Weight 442.47 g/mol
Molecular Formula C23H24F2N4O3
Exact Mass 442.181647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 43a7NyOG7KX
Name (S)-1-((2,6-Difluorobenzoyl)-D-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 442.181646972 u
Formula C23H24F2N4O3
InChI InChI=1S/C23H24F2N4O3/c24-16-4-1-5-17(25)20(16)23(32)29-13-3-7-19(29)22(31)28-12-2-6-18(28)21(30)27-14-15-8-10-26-11-9-15/h1,4-5,8-11,18-19H,2-3,6-7,12-14H2,(H,27,30)/t18-,19+/m0/s1
InChIKey YDXQDNWANONGEB-RBUKOAKNSA-N
Molecular Weight 442.467 g/mol
SMILES [C@]1(N(CCC1)C([C@@]1(N(CCC1)C(C1=C(C=CC=C1F)F)=O)[H])=O)(C(=O)NCC=1C=CN=CC1)[H]