Boc-4-benzoyl-L-phenylalanine
Basic information
- CAS
104504-43-0- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O- InChIKey
HIQJNYPOWPXYIC-KRWDZBQOSA-N- Molecular formula
- C21H23NO5
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.15762284
Names & identifiers
- Preferred name
- Boc-4-benzoyl-L-phenylalanine
- IUPAC
- (2S)-3-(4-benzoylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- English name
- Boc-Bpa-OH
- Molecular formula
- C21H23NO5
- Molecular weight
- 369.41
Names & synonyms
104504-43-0Boc-4-benzoyl-L-phenylalanineBoc-Bpa-OH(S)-3-(4-Benzoylphenyl)-2-((tert-butoxycarbonyl)amino)propanoic acidMFCD00151886Boc-p-Bz-Phe-OH(2S)-3-(4-benzoylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic AcidBoc-Phe(4-Bzo)-OHBoc-p-benzoylphenylalanine(2S)-3-(4-benzoylphenyl)-2-(tert-butoxycarbonylamino)propanoic acidSCHEMBL5065660DTXSID90426770
Show more names
BOC-L-BPA-OHBOC-PHE(4-BZ)-OHBOC-PHE(P-BZ)-OHBoc-L-Phe(4-Bz)-OHBOC-L-4-BENZOYLALANINEBOC-P-BZ-PHENYLALANINEBoc-Bpa-OH >=96.0% (HPLC)BOC-L-P-BENZOYLPHENYLALANINE
HIQJNYPOWPXYIC-KRWDZBQOSA-NL-Phenylalanine, 4-benzoyl-N-[(1,1-dimethylethoxy)carbonyl]-AKOS015836543AKOS015912005CS-W013890Boc-Bpa-OH, >=96.0% (HPLC)PS-12873SY110096
Database identifiers
- CAS
104504-43-0- PubChem CID
- 7015809
- DTXSID
DTXSID90426770- Nikkaji
- J652.360I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 525
Physicochemical properties
- Boiling point
- 561.4 · 561.4±50.0 °C(Predicted)
- Density
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 3.79 · 3.79±0.10(Predicted)
- Appearance
- Off-white to yellow Solid
- BRN
- 7256480 · 7256480
- CAS DataBase Reference
- 104504 · 104504-43-0(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesBoc-4-benzoyl-L-phenylalanine is used as a reactant in the synthesis of small molecular weight peptidomimetic competitive inhibitors of protein tyrosine phosphatase 1B.
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Related reactions
1 records
Compound notes
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