L-Cysteine, N-((1,1-dimethylethoxy)carbonyl)-S-((4-methoxyphenyl)methyl)-
Basic information
- CAS
18942-46-6- Standard SMILES
COc1ccc(CSC[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1- InChIKey
VRTXRNJMNFVTOM-ZDUSSCGKSA-N- Molecular formula
- C16H23NO5S
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.12969401
Names & identifiers
- Preferred name
- L-Cysteine, N-((1,1-dimethylethoxy)carbonyl)-S-((4-methoxyphenyl)methyl)-
- IUPAC
- (2R)-3-[(4-methoxyphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- English name
- Boc-Cys(4-meobzl)-OH
- Molecular formula
- C16H23NO5S
- Molecular weight
- 341.42
Names & synonyms
L-Cysteine, N-[(1,1-dimethylethoxy)carbonyl]-S-[(4-methoxyphenyl)methyl]-EINECS 242-695-5NSC 334312DTXSID70884556N-tert-Butoxycarbonyl-S-p-methoxybenzyl-L-cysteineN-(tert-Butoxycarbonyl)-S-(p-methoxybenzyl)-L-cysteineL-Cysteine, N-((1,1-dimethylethoxy)carbonyl)-S-((4-methoxyphenyl)methyl)-N-((1,1-Dimethylethoxy)carbonyl)-S-((4-methoxyphenyl)methyl)-L-cysteineN-[(1,1-Dimethylethoxy)carbonyl]-S-[(4-methoxyphenyl)methyl]-L-cysteineRefChem:795168DTXCID501023991242-695-5
Show more names
Boc-Cys(MOB)BOC-CYS(MBZL)BOC-L-CYS(MOB)-OHBOC-CYS(4-MOB)-OHBOC-CYS(MEOBZL)-OHBOC-L-CYS(4MOBZL)-OHBOC-CYSTEINE(MOB)-OH
18942-46-6Boc-Cys(pMeOBzl)-OHBoc-Cys(4-Meobzl)-OhBoc-S-(4-methoxybenzyl)-L-cysteineBoc-Cys(Mob)-OHMFCD00038254boc-s-p-methoxybenzyl-l-cysteineBoc-L-Cys(4-MeOBzl)-OH
Database identifiers
- CAS
18942-46-6- PubChem CID
- 87863
- DTXSID
DTXSID70884556- EC Number
- 242-695-5
- Nikkaji
- J224.809C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Melting point
- 127 · 127~130℃
- Boiling point
- 514 · 514.0±50.0 °C(Predicted)
- Density
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Solid
- pka
- 3.57 · 3.57±0.10(Predicted)
- Appearance
- White to off-white Solid
- optical activity
- -42.8 ° · -42.80°(C=0.01g/mL, DMSO, 20°C, 589nm)
- Major Application
- peptide synthesis
- InChI
- 1S/C16H23NO5S/c1-16(2,3)22-15(20)17-13(14(18)19)10-23-9-11-5-7-12(21-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)
- InChIKey
- VRTXRNJMNFVTOM-UHFFFAOYSA-N
- SMILES
- S(CC(NC(=O)OC(C)(C)C)C(=O)O)Cc1ccc(cc1)OC
- CAS DataBase Reference
- 18942 · 18942-46-6(CAS DataBase Reference)
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
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2930 90 16
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationL-Cysteine, N-[(1,1-dimethylethoxy)carbonyl]-S-[(4-methoxyphenyl)methyl]-: INACTIVE
Applications
UsesBoc-Cys(Mob)-OH, is a Cystine derivative, used in various chemical synthesis and peptide chemistry.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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