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(S)-1-((2,6-Difluorobenzoyl)-L-prolyl)-N-((R)-1-phenylethyl)pyrrolidine-2-carboxamide

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(S)-1-((2,6-Difluorobenzoyl)-L-prolyl)-N-((R)-1-phenylethyl)pyrrolidine-2-carboxamide
SpectraBase Compound ID Dp8KbEGSjif
InChI InChI=1S/C25H27F2N3O3/c1-16(17-8-3-2-4-9-17)28-23(31)20-12-6-14-29(20)24(32)21-13-7-15-30(21)25(33)22-18(26)10-5-11-19(22)27/h2-5,8-11,16,20-21H,6-7,12-15H2,1H3,(H,28,31)/t16-,20+,21+/m1/s1
InChIKey UEDUIORFPZEWOX-CZAAIQMYSA-N
Mol Weight 455.51 g/mol
Molecular Formula C25H27F2N3O3
Exact Mass 455.202048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Kd02vyo8Sn
Name (S)-1-((2,6-Difluorobenzoyl)-L-prolyl)-N-((R)-1-phenylethyl)pyrrolidine-2-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.202048064 u
Formula C25H27F2N3O3
InChI InChI=1S/C25H27F2N3O3/c1-16(17-8-3-2-4-9-17)28-23(31)20-12-6-14-29(20)24(32)21-13-7-15-30(21)25(33)22-18(26)10-5-11-19(22)27/h2-5,8-11,16,20-21H,6-7,12-15H2,1H3,(H,28,31)/t16-,20+,21+/m1/s1
InChIKey UEDUIORFPZEWOX-CZAAIQMYSA-N
Molecular Weight 455.506 g/mol
SMILES [C@]1(N(CCC1)C([C@]1(N(CCC1)C(C1=C(C=CC=C1F)F)=O)[H])=O)(C(=O)N[C@](C)(C1=CC=CC=C1)[H])[H]