Nalpha-(tert-butoxycarbonyl)glutamine 4-nitrophenyl ester
Basic information
- CAS
15387-45-8- Standard SMILES
CC(C)(C)OC(=O)NC(CCC(N)=O)C(=O)Oc1ccc([N+](=O)[O-])cc1- InChIKey
HJMMCTZLXOVMFB-UHFFFAOYSA-N- Molecular formula
- C16H21N3O7
- Average molar mass
- 367.35 g/mol
- Monoisotopic mass
- 367.13795002
Names & identifiers
- Preferred name
- Nalpha-(tert-butoxycarbonyl)glutamine 4-nitrophenyl ester
- IUPAC
- (4-nitrophenyl) 5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
- English name
- Boc-Gln-ONp
- Molecular formula
- C16H21N3O7
- Molecular weight
- 367.35
Names & synonyms
Boc-L-glutamine 4-nitrophenyl esterC16H21N3O7SCHEMBL98072904-nitrophenyl (2R)-2-{[(tert-butoxy)carbonyl]amino}-4-carbamoylbutanoateN.alpha.-(tert-butoxycarbonyl)glutamine 4-nitrophenyl esterHJMMCTZLXOVMFB-UHFFFAOYSA-NAKOS015909519N-alpha-t-BOC-L-GLUTAMINE-p-NITROPHENYL ESTER(4-nitrophenyl) 5-amino-2-(tert-butoxycarbonylamino)-5-oxo-pentanoate4-Nitrophenyl 5-amino-2-[(tert-butoxycarbonyl)amino]-5-oxopentanoate #D-Glutamine,N2-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl esterBoc-Gln-Op
Show more names
Boc-Gin-ONpGoc-Gin-ONpBoc-Gln-ONpBoc-L-Gln.OnpBOC-GLN-ONPBOC-GBOC-GLUTAMINE-ONP4-nitrophenyl esterBOC-GLN-ONP USP/EP/BPBoc-Gln-(4-Nitrophenyl)OH
Database identifiers
- CAS
15387-45-8- PubChem CID
- 85834
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 531
Physicochemical properties
- Melting point
- 146 · 146 - 148°C
- Boiling point
- 617.5 · 617.5±55.0 °C(Predicted)
- Density
- 1.291 · 1.291±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly, Sonicated), Methanol (Slightly, Sonicated)
- pka
- 10.7 · 10.70±0.46(Predicted)
- form
- Solid
- color
- White to Off-White
- BRN
- 1896303 · 1896303
- Major Application
- peptide synthesis
- InChI
- 1S/C16H21N3O7/c1-16(2,3)26-15(22)18-12(8-9-13(17)20)14(21)25-11-6-4-10(5-7-11)19(23)24/h4-7,12H,8-9H2,1-3H3,(H2,17,20)(H,18,22)/t12-/m0/s1
- InChIKey
- HJMMCTZLXOVMFB-LBPRGKRZSA-N
- SMILES
- CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)Oc1ccc(cc1)[N+]([O-])=O
- CAS DataBase Reference
- 15387 · 15387-45-8(CAS DataBase Reference)
- EPA Substance Registry System
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
- F
- 8
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H227-H315-H318-H335
- Precautionary statements
- P210-P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P312-P332+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
Chemistry & industry
Applications
UsesSubstrate for cathepsin B.
UsesBoc-Gln-ONp is an amino acid building block used in chemical synthesis and peptide chemistry.
Related reactions
1 records
Compound notes
Loading…