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(S)-1-((2-Chlorobenzoyl)-L-prolyl)-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

View entire compound with spectra: 1 NMR

(S)-1-((2-Chlorobenzoyl)-L-prolyl)-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SpectraBase Compound ID 9bRuPsoCNxc
InChI InChI=1S/C23H25ClN4O3/c24-18-6-2-1-5-17(18)22(30)28-14-4-8-20(28)23(31)27-13-3-7-19(27)21(29)26-15-16-9-11-25-12-10-16/h1-2,5-6,9-12,19-20H,3-4,7-8,13-15H2,(H,26,29)/t19-,20-/m0/s1
InChIKey QUQQPNIQKSAAEA-PMACEKPBSA-N
Mol Weight 440.93 g/mol
Molecular Formula C23H25ClN4O3
Exact Mass 440.161518 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AQ6PepIMFXX
Name (S)-1-((2-Chlorobenzoyl)-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 440.161518378 u
Formula C23H25ClN4O3
InChI InChI=1S/C23H25ClN4O3/c24-18-6-2-1-5-17(18)22(30)28-14-4-8-20(28)23(31)27-13-3-7-19(27)21(29)26-15-16-9-11-25-12-10-16/h1-2,5-6,9-12,19-20H,3-4,7-8,13-15H2,(H,26,29)/t19-,20-/m0/s1
InChIKey QUQQPNIQKSAAEA-PMACEKPBSA-N
Molecular Weight 440.931 g/mol
SMILES [C@]1(N(CCC1)C([C@]1(N(CCC1)C(C1=C(C=CC=C1)Cl)=O)[H])=O)(C(=O)NCC=1C=CN=CC1)[H]