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(2S)-[N-(t-Butoxycarbonyl)amino]-3-[6'-(pyrrolidin-1''-yl)pyridine]-propionic acid - Methyl ester
SpectraBase Compound ID 7Wi71Z2nQap
InChI InChI=1S/C18H27N3O4/c1-18(2,3)25-17(23)20-14(16(22)24-4)11-13-7-8-15(19-12-13)21-9-5-6-10-21/h7-8,12,14H,5-6,9-11H2,1-4H3,(H,20,23)/t14-/m0/s1
InChIKey JHLYIMQIVQFNJZ-AWEZNQCLSA-N
Mol Weight 349.43 g/mol
Molecular Formula C18H27N3O4
Exact Mass 349.200156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJLd1CL1oFV
Name (2S)-[N-(t-Butoxycarbonyl)amino]-3-[6'-(pyrrolidin-1''-yl)pyridine]-propionic acid - Methyl ester
Alternate Name(s) (S)-2-tert-Butoxycarbonylamino-3-(6-pyrrolidin-1-yl-pyridin-3-yl)-propionic acid methyl ester (S)-methyl 2-((tert-butoxycarbonyl)amino)-3-(6-(pyrrolidin-1-yl)pyridin-3-yl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27N3O4
InChI InChI=1S/C18H27N3O4/c1-18(2,3)25-17(23)20-14(16(22)24-4)11-13-7-8-15(19-12-13)21-9-5-6-10-21/h7-8,12,14H,5-6,9-11H2,1-4H3,(H,20,23)/t14-/m0/s1
InChIKey JHLYIMQIVQFNJZ-AWEZNQCLSA-N
Molecular Weight 349.431 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C(=O)OC)(Cc1cnc(N2CCCC2)cc1)[H]
SPLASH splash10-06rt-6798000000-8e4f213a392d2ba08d99
Source of Spectrum F5-1-4258-9b
Wiley ID 1731601