5-O-benzyl 1-O-(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
Basic information
- CAS
32886-40-1- Standard SMILES
CC(C)(C)OC(=O)NC(CCC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O- InChIKey
XVJBCWSNHLGDLQ-UHFFFAOYSA-N- Molecular formula
- C21H26N2O8
- Average molar mass
- 434.4 g/mol
- Monoisotopic mass
- 434.16891579
Names & identifiers
- Preferred name
- 5-O-benzyl 1-O-(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
- IUPAC
- 5-O-benzyl 1-O-(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
- English name
- Boc-Glu(OBzl)-OSu
- Molecular formula
- C21H26N2O8
- Molecular weight
- 434.44
Names & synonyms
Boc-L-glutamic acid g-benzyl ester a-N-hydroxysuccinimide esterNSC334338SCHEMBL137022211-benzyl 2,5-dioxopyrrolidin-1-yl (4R)-4-{[(tert-butoxy)carbonyl]amino}pentanedioateNSC-3343385-O-benzyl 1-O-(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioateN-Boc-O5-benzyl-D-glutamic acid succinimido esterN-Boc-O5-benzyl-L-glutamic acid succinimido esterBoc-D-glutamic acid gamma-benzyl ester alpha-N-hydroxysuccinimide esterO5-benzyl O1-(2,5-dioxopyrrolidin-1-yl) 2-(tert-butoxycarbonylamino)pentanedioateBoc-Glu(OBzl)-OSuBoc-L-Glu(Bzl)-OSu
Show more names
Boc-L-Glu(OBzl)-OSuBOC-GLUTAMIC ACID(OBZL)-OSUBOC-L-GLUTAMIC ACID-Y-BENZYL-A-HYDROXYSUCCINIMID-DIESTERBoc-L-glutamic acid -benzyl--N-hydroxysuccinimide di-esterBOC-L-GLUTAMIC ACID-GAMMA-BENZYL-ALPHA-HYDROXYSUCCINIMID-DIESTERBOC-L-GLUTAMIC ACID GAMMA-BENZYL ESTER N-HYDROXYSUCCINIMIDE ESTERBOC-L-GLUTAMIC ACID GAMMA-BENZYL-ALPHA-N-HYDROXYSUCCINIMIDE DI-ESTER5-Benzyl (S)-1-(2,5-Dioxo-1-pyrrolidinyl) 2-(Boc-amino)pentanedioate
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 678
Physicochemical properties
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- solubility
- Soluble in DMSO
- pka
- 10.56 · 10.56±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330
Chemistry & industry
Applications
UsesBoc-Glu(OBzl)-OSu can be used for the solid-phase peptide synthesis containing glutamate benzyl ester residues.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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