Benzyl N6-benzyloxycarbonyl-L-lysinate hydrochloride
Basic information
- CAS
6366-70-7- Standard SMILES
[Cl-].[NH3+][C@@H](CCCCNOC(=O)Cc1ccccc1)C(=O)OCc1ccccc1- InChIKey
NWSFLBWTZZJOAF-FYZYNONXSA-N- Molecular formula
- C21H27ClN2O4
- Average molar mass
- 406.9 g/mol
- Monoisotopic mass
- 406.16593502
Names & identifiers
- Preferred name
- Benzyl N6-benzyloxycarbonyl-L-lysinate hydrochloride
- IUPAC
- [(2S)-1-oxo-6-[(2-phenylacetyl)oxyamino]-1-phenylmethoxyhexan-2-yl]azanium chloride
- English name
- N6-Cbz-L-Lysine benzyl ester hydrochloride
- Molecular formula
- C21H27ClN2O4
- Molecular weight
- 406.9
Names & synonyms
Benzyl N6-benzyloxycarbonyl-L-lysinate hydrochlorideEINECS 228-859-9DTXSID90274733NSC 88180Lysine, N(6)-carboxy-, dibenzyl ester, hydrochloride, L-N-epsilon-Carbobenzyloxy-L-lysine benzyl ester hydrochlorideLYSINE, N(sup 6)-(PHENYLACETOXY)-, BENZYL ESTER, MONOHYDROCHLORIDE, L-L-Lysine, N(6)-((phenylmethoxy)carbonyl)-, phenylmethyl ester, monohydrochloride73747-57-6RefChem:328688DTXCID50226192Lysine, N(6)-carboxy-, dibenzyl ester, hydrochloride, L-(8CI)
Show more names
Lys(Z)-OBzl·HClLYS(Z)-OBZLCLL-LYS(Z)-OBZL.HCLH-Lys(Z)-OBzl·HCILys(Cbz)-Obzl.HCLH-L-Lys(Z)-OBzl*HClH-LYS(CBZ)-OBZL·HCLL-Lys(Cbz)-OBzl HClN6-Cbz-L-Lysine benz
L-Lysine, N(6)-((phenylmethoxy)carbonyl)-, phenylmethyl ester, monohydrochloride (9CI)228-859-96366-70-7(2S)-1-(Benzyloxy)-1-oxo-6-{[(phenylacetyl)oxy]amino}hexan-2-aminium chloride2-amino-6-(phenylmethoxycarbonylamino)hexanoic acid (phenylmethyl) ester hydrochloride
Database identifiers
- CAS
6366-70-7、73747-57-6- PubChem CID
- 22852
- DTXSID
DTXSID90274733- EC Number
- 228-859-9
Properties
Computed structural properties
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- Melting point
- 138 · 138-140 °C
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- DMSO, DMF, Methanol
- form
- Powder
- color
- White to off-white
- optical activity
- 20 · [α]20/D 6.5±1°, c = 0.5% in 0.1 M HCl
- BRN
- 3580519 · 3580519
- Major Application
- peptide synthesis
- InChI
- InChI=1/C21H26N2O4.ClH/c22-19(20(24)26-15-17-9-3-1-4-10-17)13-7-8-14-23-21(25)27-16-18-11-5-2-6-12-18;/h1-6,9-12,19H,7-8,13-16,22H2,(H,23,25);1H/t19-;/s3
- InChIKey
- XHBTZNKKLKICJY-FYZYNONXSA-N
- SMILES
- C(OCC1=CC=CC=C1)(=O)[C@H](CCCCNC(OCC1C=CC=CC=1)=O)N.[H]Cl |&1:10,r|
- CAS DataBase Reference
- 6366 · 6366-70-7(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- OL5685000
- hs_code
- 2922500090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P302+P352-P362+P364
Chemistry & industry
Applications
UsesN6-Cbz-L-Lysine benzyl ester hydrochloride can be useful for the preparation of pseudopeptides as thrombolytic agents.
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Compound notes
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