6-[(2-Chlorophenyl)methoxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
Basic information
- CAS
54613-99-9- Standard SMILES
CC(C)(C)OC(=O)NC(CCCCNC(=O)OCc1ccccc1Cl)C(=O)O- InChIKey
ATUMDPHEFWGCJF-UHFFFAOYSA-N- Molecular formula
- C19H27ClN2O6
- Average molar mass
- 414.9 g/mol
- Monoisotopic mass
- 414.1557643
Names & identifiers
- Preferred name
- 6-[(2-Chlorophenyl)methoxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
- IUPAC
- 6-[(2-chlorophenyl)methoxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
- English name
- N-Boc-N'-(2-chlorobenzyloxycarbonyl)-L-lysine
- Molecular formula
- C19H27ClN2O6
- Molecular weight
- 414.88
Names & synonyms
C19H27ClN2O66-[(2-chlorophenyl)methoxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acidBoc-D-Lys(Cl-Z)-OHN6-((2-Chlorobenzyloxy)carbonyl)-N2-tert-butoxycarbonyl lysineBoc-L-Lys(2-Cl-Cbz)-OHN-Boc-N inverted exclamation mark -[(2-chlorobenzyloxy)carbonyl]-D-lysineNa-Boc-Ne-2-chloro-Z-L-lysineL-Lysine, N6-(((2-chlorophenyl)methoxy)carbonyl)-N2-((1,1-dimethylethoxy)carbonyl)-Boc-N-(2-Chloro-Cbz)-D-LysineBDK-2628BLK-2135N-Boc-N'-(2-chloro-Cbz)-L-lysine
Show more names
BOC-LYS(2-CL-Z)-OHBOC-LYS(2-CHLORO-Z)-OHBOC-LYS(CL-Z)BOC-LYS(2-CLZ)BOC-L-LYS(CL-Z)BOC-LYS(CL-Z)-OHBOC-LYS(2-CI-Z)-OHBoc-Lys(2-C1-Z)-OHBOC-LYS(2-CHLORO-Z)Boc-(2-Cl-Z) Lysine
AKOS0159607852-(tert-butoxycarbonylamino)-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoic acidN|A-Boc-N|A-(2-chloro-Z)-D-lysineN6-(((2-Chlorophenyl)methoxy)carbonyl)-N2-((1,1-dimethylethoxy)carbonyl)-L-lysineLS-14734PD196758ST51012420N(alpha)-boc-N(epsilon)-(2-chloro-Z)-L-lysine
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 523
Physicochemical properties
- Melting point
- 70 · 70-73 °C
- Boiling point
- 608.3 · 608.3±55.0 °C(Predicted)
- Density
- 1.236 · 1.236±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- pka
- 3.99 · 3.99±0.21(Predicted)
- form
- Powder
- color
- White to off-white
- Major Application
- peptide synthesis
- InChI
- 1S/C19H27ClN2O6/c1-19(2,3)28-18(26)22-15(16(23)24)10-6-7-11-21-17(25)27-12-13-8-4-5-9-14(13)20/h4-5,8-9,15H,6-7,10-12H2,1-3H3,(H,21,25)(H,22,26)(H,23,24)
- InChIKey
- ATUMDPHEFWGCJF-UHFFFAOYSA-N
- SMILES
- Clc1c(cccc1)COC(=O)NCCCCC(NC(=O)OC(C)(C)C)C(=O)O
- CAS DataBase Reference
- 54613 · 54613-99-9(CAS DataBase Reference)
- EPA Substance Registry System
- 6 · N6-[(2-Chlorobenzyloxy)carbonyl]-N2-tert-butoxycarbonyl lysine (54613-99-9)
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
- tsca
- TSCA listed
- hs_code
- 29242990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesThe 2-Cl-Z protection is about 50 times more stable than the Z-group
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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