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Methyl (2S)-2-[(benzyloxycarbonyl)amino]-3-[5'-(4''-methoxyphenyl)-1'-phenyl-1'H-pyrazol-3'-yl]propanoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Methyl (2S)-2-[(benzyloxycarbonyl)amino]-3-[5'-(4''-methoxyphenyl)-1'-phenyl-1'H-pyrazol-3'-yl]propanoate
SpectraBase Compound ID 27hhi78KvO2
InChI InChI=1S/C28H27N3O5/c1-34-24-15-13-21(14-16-24)26-18-22(30-31(26)23-11-7-4-8-12-23)17-25(27(32)35-2)29-28(33)36-19-20-9-5-3-6-10-20/h3-16,18,25H,17,19H2,1-2H3,(H,29,33)/t25-/m0/s1
InChIKey STAHQNMOEWWNQR-VWLOTQADSA-N
Mol Weight 485.54 g/mol
Molecular Formula C28H27N3O5
Exact Mass 485.195071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LKk50UQqEOq
Name Methyl (2S)-2-[(benzyloxycarbonyl)amino]-3-[5'-(4''-methoxyphenyl)-1'-phenyl-1'H-pyrazol-3'-yl]propanoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H27N3O5
InChI InChI=1S/C28H27N3O5/c1-34-24-15-13-21(14-16-24)26-18-22(30-31(26)23-11-7-4-8-12-23)17-25(27(32)35-2)29-28(33)36-19-20-9-5-3-6-10-20/h3-16,18,25H,17,19H2,1-2H3,(H,29,33)/t25-/m0/s1
InChIKey STAHQNMOEWWNQR-VWLOTQADSA-N
Literature Reference DOI 10.1039/c5ob00364d
Molecular Weight 485.540 g/mol
SMILES N(C(OCc1ccccc1)=O)[C@@](Cc1n[n](-c2ccccc2)c(c1)-c1ccc(cc1)OC)(C(OC)=O)[H]
SPLASH splash10-01si-2139100000-daa062f96f6c14d1ea70
Source of Spectrum F5-13-4519-19
Synonyms (S)-methyl 2-(((benzyloxy)carbonyl)amino)-3-(5-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-3-yl)propanoate
Wiley ID 1760851