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

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Methyl (2S)-2-[(benzyloxycarbonyl)amino]-3-[5'-(naphthalen-2''-yl)-1'-phenyl-1'H-pyrazol-3'-yl]propanoate
SpectraBase Compound ID GFBtIuU84v7
InChI InChI=1S/C31H27N3O4/c1-37-30(35)28(32-31(36)38-21-22-10-4-2-5-11-22)19-26-20-29(34(33-26)27-14-6-3-7-15-27)25-17-16-23-12-8-9-13-24(23)18-25/h2-18,20,28H,19,21H2,1H3,(H,32,36)/t28-/m0/s1
InChIKey MSSUOCOCPQBKQG-NDEPHWFRSA-N
Mol Weight 505.57 g/mol
Molecular Formula C31H27N3O4
Exact Mass 505.200156 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K9mLF1UXHdW
Name Methyl (2S)-2-[(benzyloxycarbonyl)amino]-3-[5'-(naphthalen-2''-yl)-1'-phenyl-1'H-pyrazol-3'-yl]propanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 505.200156357 u
Formula C31H27N3O4
InChI InChI=1S/C31H27N3O4/c1-37-30(35)28(32-31(36)38-21-22-10-4-2-5-11-22)19-26-20-29(34(33-26)27-14-6-3-7-15-27)25-17-16-23-12-8-9-13-24(23)18-25/h2-18,20,28H,19,21H2,1H3,(H,32,36)/t28-/m0/s1
InChIKey MSSUOCOCPQBKQG-NDEPHWFRSA-N
Molecular Weight 505.574 g/mol
SMILES C=1C(C2=CC(C[C@](NC(OCC3=CC=CC=C3)=O)(C(OC)=O)[H])=NN2C=2C=CC=CC2)=CC=C2C1C=CC=C2