Basic information
- CAS
2389-45-9- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O- InChIKey
BDHUTRNYBGWPBL-HNNXBMFYSA-N- Molecular formula
- C19H28N2O6
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.19473662
Names & identifiers
- Preferred name
- Boc-Lys(Z)-OH
- IUPAC
- (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid
- English name
- N-Boc-N'-Cbz-L-lysine
- Molecular formula
- C19H28N2O6
- Molecular weight
- 380.44
Names & synonyms
Boc-Lys(Z)-OH2389-45-9DTXSID50883840N2-tert-Butoxycarbonyl-N6-benzyloxycarbonyl lysineL-Lysine, N2-[(1,1-dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-EINECS 219-221-0L-Lysine, N2-((1,1-dimethylethoxy)carbonyl)-N6-((phenylmethoxy)carbonyl)-Lysine, N(2),N(6)-dicarboxy-, N(6)-benzyl N(2)-tert-butyl ester, L-NSC 334368L-Lysine, N(2)-[(1,1-dimethylethoxy)carbonyl]-N(6)-[(phenylmethoxy)carbonyl]-L-Lysine, N(2)-((1,1-dimethylethoxy)carbonyl)-N(6)-((phenylmethoxy)carbonyl)-RefChem:330050
Show more names
BOC-LYS(Z)Boc-L-Lys(Cbz)-OHN6-Benzyloxycarbonyl-N2-tert-butoxycarbonyl-L-lysineBOC-Z-LYSINE-Boc-NεBOC-LYSINE(Z)-OH
DTXCID101023325BDHUTRNYBGWPBL-HNNXBMFYSA-NBoc-L-Lys(Z)-OHn-boc-n'-cbz-l-lysineBOC-LYS(CBZ)-OH(S)-6-(((Benzyloxy)carbonyl)amino)-2-((tert-butoxycarbonyl)amino)hexanoic acidMFCD00065584(Carbobenzoxyl)(carbo-tert-butoxyl)lysine
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 483
Physicochemical properties
- Melting point
- 75 to · 75.0 to 79.0 °C
- Boiling point
- 587 · 587.0±50.0 °C(Predicted)
- Density
- 1.176 · 1.176±0.06 g/cm3(Predicted)
- refractive index
- -8 ° · -8 ° (C=2.5, AcOH)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- solubility
- almost transparency in Acetic acid
- form
- powder to crystal
- pka
- 3.99 · 3.99±0.21(Predicted)
- color
- White to Almost white
- BRN
- 1917222 · 1917222
- Major Application
- peptide synthesis
- InChI
- 1S/C19H28N2O6/c1-19(2,3)27-18(25)21-15(16(22)23)11-7-8-12-20-17(24)26-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)/t15-/m0/s1
- InChIKey
- BDHUTRNYBGWPBL-HNNXBMFYSA-N
- SMILES
- C(O)(=O)[C@H](CCCCNC(OCC1=CC=CC=C1)=O)NC(OC(C)(C)C)=O
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H315 (50%): 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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2924 29 70
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationL-Lysine, N2-[(1,1-dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-: ACTIVE
Applications
UsesBoc-Lys(Z)-OH, is used in the synthesis of Isodesmosine Chloride (I815050), which is a component of elastin.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers101 total
北京华美互利生物化工010-56205725 · [email protected]
Related reactions
46 records
Compound notes
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