(2S)-3-{[(tert-butoxy)carbonyl]amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
Basic information
- CAS
162558-25-0- Standard SMILES
CC(C)(C)OC(=O)NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O- InChIKey
PKAUMAVONPSDRW-IBGZPJMESA-N- Molecular formula
- C23H26N2O6
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.17908655
Names & identifiers
- Preferred name
- (2S)-3-{[(tert-butoxy)carbonyl]amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
- IUPAC
- (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- English name
- N-Fmoc-N'-Boc-L-2,3-Diaminopropionic acid
- Molecular formula
- C23H26N2O6
- Molecular weight
- 426.46
Names & synonyms
162558-25-0(2S)-3-{[(tert-butoxy)carbonyl]amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid(2S)-3-(((tert-butoxy)carbonyl)amino)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)propanoic acidRefChem:398498871-379-5Fmoc-Dap(Boc)-OHFmoc-Dapa(Boc)-OHN-Fmoc-N'-Boc-L-2,3-Diaminopropionic acidFmoc-L-Dap(Boc)-OHMFCD00235896(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidL-Alanine, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
Show more names
FMOC-DAP(BOC)FMOC-L-DAP(BOC)N-Fmoc-N'-Boc-LFMOC-DPR(BOC)-OHN-Fmoc-N'-Boc-L-2FMOC-L-DPA(BOC)-OHFMOC-L-DAPA(BOC)-OH
SCHEMBL4600320(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-((tert-butoxycarbonyl)amino)propanoic acidAS-17628M03241Fmoc-L-2,3-Diaminopropionic acid(Boc)3-(tert-Butoxycarbonyl(2S)-3-(tert-butoxycarbonylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acidA810383
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 639
Physicochemical properties
- Melting point
- 131 · 131-139 .°C
- Boiling point
- 652.5 · 652.5±55.0 °C(Predicted)
- Density
- 1.263 · 1.263±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- pka
- 3.58 · 3.58±0.10(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- Water Solubility
- Slightly soluble in water.
- BRN
- 7057792 · 7057792
- Major Application
- peptide synthesis
- InChIKey
- PKAUMAVONPSDRW-IBGZPJMESA-N
- SMILES
- C(O)(=O)[C@H](CNC(OC(C)(C)C)=O)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O
- CAS DataBase Reference
- 162558 · 162558-25-0(CAS DataBase Reference)
- UNSPSC Code
- 12352209 · 12352209
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2924 29 70
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Applications
UsesAs lysine residue its 3-amino group is often used for carrying a tag moiety such as a fluorescent dye, a quencher or biotin.
Suppliers
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Compound notes
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