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

View entire compound with spectra: 1 MS (GC)

Methyl (2S)-2-[(benzyloxycarbonyl)amino]-3-[5'-(3'''-nitrobiphen-4''-yl)-1'-phenyl-1'H-pyrazol-3'-yl]propanoate
SpectraBase Compound ID 3mog6Bz5Dms
InChI InChI=1S/C33H28N4O6/c1-42-32(38)30(34-33(39)43-22-23-9-4-2-5-10-23)20-27-21-31(36(35-27)28-12-6-3-7-13-28)25-17-15-24(16-18-25)26-11-8-14-29(19-26)37(40)41/h2-19,21,30H,20,22H2,1H3,(H,34,39)/t30-/m0/s1
InChIKey BMJOTAHEEHHUDK-PMERELPUSA-N
Mol Weight 576.6 g/mol
Molecular Formula C33H28N4O6
Exact Mass 576.200885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BkveLoXB8Kp
Name Methyl (2S)-2-[(benzyloxycarbonyl)amino]-3-[5'-(3'''-nitrobiphen-4''-yl)-1'-phenyl-1'H-pyrazol-3'-yl]propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H28N4O6
InChI InChI=1S/C33H28N4O6/c1-42-32(38)30(34-33(39)43-22-23-9-4-2-5-10-23)20-27-21-31(36(35-27)28-12-6-3-7-13-28)25-17-15-24(16-18-25)26-11-8-14-29(19-26)37(40)41/h2-19,21,30H,20,22H2,1H3,(H,34,39)/t30-/m0/s1
InChIKey BMJOTAHEEHHUDK-PMERELPUSA-N
Literature Reference DOI 10.1039/c5ob00364d
Molecular Weight 576.609 g/mol
SMILES N(C(OCc1ccccc1)=O)[C@@](Cc1n[n](-c2ccccc2)c(c1)-c1ccc(cc1)-c1cccc(c1)[N+](=O)[O-])(C(OC)=O)[H]
SPLASH splash10-0udi-1009500000-cdb21e5d4c11d9fe628f
Source of Spectrum F5-13-4520-21
Synonyms (S)-methyl 2-(((benzyloxy)carbonyl)amino)-3-(5-(3'-nitro-[1,1'-biphenyl]-4-yl)-1-phenyl-1H-pyrazol-3-yl)propanoate
Wiley ID 1760853