(S)-S-Benzyl 6-amino-2-(((benzyloxy)carbonyl)amino)hexanethioate hydrochloride
Basic information
- CAS
69861-89-8- Standard SMILES
Cl.NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)SCc1ccccc1- InChIKey
PNDSXGXPDJRQAV-FYZYNONXSA-N- Molecular formula
- C21H27ClN2O3S
- Average molar mass
- 423 g/mol
- Monoisotopic mass
- 422.1430916
Overview
Z-L-Lys-SBzl hydrochloride is the hydrochloride salt of thiobenzyl benzyloxycarbonyl-L-lysinate. It is a substrate for a sensitive colorimetric assay for trypsin-like enzymes. It contains a thiobenzyl benzyloxycarbonyl-L-lysinate(1+).
Names & identifiers
- Preferred name
- (S)-S-Benzyl 6-amino-2-(((benzyloxy)carbonyl)amino)hexanethioate hydrochloride
- IUPAC
- S-benzyl (2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanethioate;hydrochloride
- English name
- Z-Lys-sbzl HCl
- Molecular formula
- C21H27ClN2O3S
- Molecular weight
- 422.97
Names & synonyms
69861-89-8Z-Lys-SBzl HClZ-L-Lys-SBzl hydrochlorideZ-LYS-SBZL (monohydrochloride)Z-Lys-SBzl hydrochlorideMFCD00058089(S)-S-Benzyl 6-amino-2-(((benzyloxy)carbonyl)amino)hexanethioate hydrochlorideZ-Lys-SBzl.HClCID 155227S-benzyl (2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanethioate;hydrochlorideAKOS027327898Z-Lys-SBzl . HCl
Show more names
BLT, HCLZ-LYSINE-SBZL HCLmonohydrochloride,(s)-)esteZ-Lys-SBzl . HCl (M-1300.0050)NA-CBZ-L-LYSINE THIOBENZYL ESTERHYDRZ-L-LYSINE THIOBENZYL ESTER HYDROCHLORIDE
(S)-S-Benzyl6-amino-2-(((benzyloxy)carbonyl)amino)hexanethioatehydrochlorideS-benzyl (2S)-6-amino-2-{[(benzyloxy)carbonyl]amino}hexanethioate hydrochlorideHexanethioic acid, 6-amino-2-(((phenylmethoxy)carbonyl)amino)-, S-(phenylmethyl) ester, monohydrochloride, (S)-Hexanethioic acid, 6-amino-2-[[(phenylmethoxy)carbonyl]amino]-, S-(phenylmethyl) ester, monohydrochloride, (S)-Z-L-Lys-SBzl HClC21H27ClN2O3SSCHEMBL29437113SCHEMBL29437115
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 435
Physicochemical properties
- storage temp.
- -20 °C · -20°C
- form
- White to off-white solid
- color
- White to light yellow
- Water Solubility
- 10 mg/mLethanol: · water: 10mg/mLethanol: soluble
- InChI
- 1S/C21H26N2O3S.ClH/c22-14-8-7-13-19(20(24)27-16-18-11-5-2-6-12-18)23-21(25)26-15-17-9-3-1-4-10-17;/h1-6,9-12,19H,7-8,13-16,22H2,(H,23,25);1H/t19-;/m0./s1
- InChIKey
- PNDSXGXPDJRQAV-FYZYNONXSA-N
- SMILES
- Cl.NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)SCc2ccccc2
- EPA Substance Registry System
- 6 · Hexanethioic acid, 6-amino-2-[[(phenylmethoxy)carbonyl]amino]-, S-(phenylmethyl) ester, monohydrochloride, (S)- (69861-89-8)
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesZ-L-Lys-SBzl hydrochloride has been used as a thioesther substrate in photometric assay and as substrate in determining mast cell protease enzyme activity.
Additional notes
DefinitionChEBI: Z-L-Lys-SBzl hydrochloride is the hydrochloride salt of thiobenzyl benzyloxycarbonyl-L-lysinate. It is a substrate for a sensitive colorimetric assay for trypsin-like enzymes. It contains a thiobenzyl benzyloxycarbonyl-L-lysinate(1+).
Related reactions
0 records
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Compound notes
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