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Tert-butyl (S)-2-((S)-2-((pyridin-4-ylmethyl)carbamoyl)pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate

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Tert-butyl (S)-2-((S)-2-((pyridin-4-ylmethyl)carbamoyl)pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
SpectraBase Compound ID 33o5f21Qhq8
InChI InChI=1S/C21H30N4O4/c1-21(2,3)29-20(28)25-13-5-7-17(25)19(27)24-12-4-6-16(24)18(26)23-14-15-8-10-22-11-9-15/h8-11,16-17H,4-7,12-14H2,1-3H3,(H,23,26)/t16-,17-/m0/s1
InChIKey NSZNYCJHHZDMGH-IRXDYDNUSA-N
Mol Weight 402.5 g/mol
Molecular Formula C21H30N4O4
Exact Mass 402.226705 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DKqOnW0dW66
Name Tert-butyl (S)-2-((S)-2-((pyridin-4-ylmethyl)carbamoyl)pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.226705458 u
Formula C21H30N4O4
InChI InChI=1S/C21H30N4O4/c1-21(2,3)29-20(28)25-13-5-7-17(25)19(27)24-12-4-6-16(24)18(26)23-14-15-8-10-22-11-9-15/h8-11,16-17H,4-7,12-14H2,1-3H3,(H,23,26)/t16-,17-/m0/s1
InChIKey NSZNYCJHHZDMGH-IRXDYDNUSA-N
Molecular Weight 402.495 g/mol
SMILES [C@]1(N(CCC1)C(=O)OC(C)(C)C)(C(=O)N1[C@@](CCC1)(C(NCC=1C=CN=CC1)=O)[H])[H]